1,3-dihydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2,3-dihydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxyethyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate

C85H158O28 — CID 159625977

IUPAC1,3-dihydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2,3-dihydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxyethyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate
SMILESCC(O)COC(=O)OC1CC(C)CCC1C(C)C.CC1CCC(C(C)C)C(OC(=O)OC(C)CO)C1.CC1CCC(C(C)C)C(OC(=O)OC(CO)CO)C1.CC1CCC(C(C)C)C(OC(=O)OCC(CO)(CO)CO)C1.CC1CCC(C(C)C)C(OC(=O)OCC(O)CO)C1.CC1CCC(C(C)C)C(OC(=O)OCCO)C1
InChIInChI=1S/C16H30O6.2C14H26O5.2C14H26O4.C13H24O4/c1-11(2)13-5-4-12(3)6-14(13)22-15(20)21-10-16(7-17,8-18)9-19;1-9(2)12-5-4-10(3)6-13(12)19-14(17)18-8-11(16)7-15;1-9(2)12-5-4-10(3)6-13(12)19-14(17)18-11(7-15)8-16;1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-8-11(4)15;1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-11(4)8-15;1-9(2)11-5-4-10(3)8-12(11)17-13(15)16-7-6-14/h11-14,17-19H,4-10H2,1-3H3;2*9-13,15-16H,4-8H2,1-3H3;2*9-13,15H,5-8H2,1-4H3;9-12,14H,4-8H2,1-3H3
InChIKeyMOMMNIFEJIAZRG-UHFFFAOYSA-N
MW1628.17 g/mol
LogP14.03
Rot. Bonds29

About 1,3-dihydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2,3-dihydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxyethyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate

1,3-dihydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2,3-dihydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxyethyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate (PubChem CID 159625977) has the molecular formula C85H158O28 and a molecular weight of 1628.17 g/mol. Its IUPAC name is 1,3-dihydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2,3-dihydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxyethyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate.

Molecular Properties

Compound Name1,3-dihydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2,3-dihydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxyethyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate
PubChem CID159625977
Molecular FormulaC85H158O28
Molecular Weight1628.17 g/mol
Exact Mass1627.09
IUPAC Name1,3-dihydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2,3-dihydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxyethyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate
SMILESCC(O)COC(=O)OC1CC(C)CCC1C(C)C.CC1CCC(C(C)C)C(OC(=O)OC(C)CO)C1.CC1CCC(C(C)C)C(OC(=O)OC(CO)CO)C1.CC1CCC(C(C)C)C(OC(=O)OCC(CO)(CO)CO)C1.CC1CCC(C(C)C)C(OC(=O)OCC(O)CO)C1.CC1CCC(C(C)C)C(OC(=O)OCCO)C1
InChIInChI=1S/C16H30O6.2C14H26O5.2C14H26O4.C13H24O4/c1-11(2)13-5-4-12(3)6-14(13)22-15(20)21-10-16(7-17,8-18)9-19;1-9(2)12-5-4-10(3)6-13(12)19-14(17)18-8-11(16)7-15;1-9(2)12-5-4-10(3)6-13(12)19-14(17)18-11(7-15)8-16;1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-8-11(4)15;1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-11(4)8-15;1-9(2)11-5-4-10(3)8-12(11)17-13(15)16-7-6-14/h11-14,17-19H,4-10H2,1-3H3;2*9-13,15-16H,4-8H2,1-3H3;2*9-13,15H,5-8H2,1-4H3;9-12,14H,4-8H2,1-3H3
InChIKeyMOMMNIFEJIAZRG-UHFFFAOYSA-N
XLogP14.03
TPSA415.48 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds29
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001628.17
LogP ≤ 514.03
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 1,3-dihydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2,3-dihydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxyethyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate with MolForge

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Launch Full Analysis

Related Compounds

2-hydroxyethyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate;2-hydroxypropyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate
CID 159592840
1-O-(2,3-dihydroxypropyl) 4-O-(5-methyl-2-propan-2-ylcyclohexyl) but-2-enedioate
CID 68914350
2-chloroethyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate
CID 163755542
2,3-dihydroxypropyl (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate;2-hydroxyethyl (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 159165729
1-O-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-O-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,3S)-2,3-dihydroxybutanedioate
CID 11887456
1-chloroethyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate
CID 77355746
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxyacetate
CID 39870900
(5-methyl-2-propan-2-ylcyclohexyl) [(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl] carbonate
CID 18643768
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylamino]propyl carbonate
CID 58534203
(5-methyl-2-propan-2-ylcyclohexyl) 9-nitrosononyl carbonate
CID 129206915
ethane-1,2-diol;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] hydrogen carbonate
CID 174452355
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dihydroxyacetate
CID 51407482

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2,3-dihydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxyethyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate?
The IUPAC name of 1,3-dihydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2,3-dihydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxyethyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate (CID 159625977) is 1,3-dihydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2,3-dihydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxyethyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate.
What is the SMILES notation for 1,3-dihydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2,3-dihydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxyethyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate?
The canonical SMILES for 1,3-dihydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2,3-dihydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxyethyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate is CC(O)COC(=O)OC1CC(C)CCC1C(C)C.CC1CCC(C(C)C)C(OC(=O)OC(C)CO)C1.CC1CCC(C(C)C)C(OC(=O)OC(CO)CO)C1.CC1CCC(C(C)C)C(OC(=O)OCC(CO)(CO)CO)C1.CC1CCC(C(C)C)C(OC(=O)OCC(O)CO)C1.CC1CCC(C(C)C)C(OC(=O)OCCO)C1.
What is the InChIKey of 1,3-dihydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2,3-dihydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxyethyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate?
The InChIKey is MOMMNIFEJIAZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O6.2C14H26O5.2C14H26O4.C13H24O4/c1-11(2)13-5-4-12(3)6-14(13)22-15(20)21-10-16(7-17,8-18)9-19;1-9(2)12-5-4-10(3)6-13(12)19-14(17)18-8-11(16)7-15;1-9(2)12-5-4-10(3)6-13(12)19-14(17)18-11(7-15)8-16;1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-8-11(4)15;1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-11(4)8-15;1-9(2)11-5-4-10(3)8-12(11)17-13(15)16-7-6-14/h11-14,17-19H,4-10H2,1-3H3;2*9-13,15-16H,4-8H2,1-3H3;2*9-13,15H,5-8H2,1-4H3;9-12,14H,4-8H2,1-3H3.
What are the key properties of 1,3-dihydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2,3-dihydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxyethyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate?
1,3-dihydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2,3-dihydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxyethyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate has a molecular weight of 1628.17 g/mol, XLogP of 14.03, 29 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2,3-dihydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxyethyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate;2-hydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate is sourced from PubChem (CID 159625977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).