[2-(4-methylcyclohexyl)-1,3-dioxan-5-yl] 4-methylcyclohexane-1-carboxylate

C19H32O4 — CID 21359941

IUPAC[2-(4-methylcyclohexyl)-1,3-dioxan-5-yl] 4-methylcyclohexane-1-carboxylate
SMILESCC1CCC(C(=O)OC2COC(C3CCC(C)CC3)OC2)CC1
InChIInChI=1S/C19H32O4/c1-13-3-7-15(8-4-13)18(20)23-17-11-21-19(22-12-17)16-9-5-14(2)6-10-16/h13-17,19H,3-12H2,1-2H3
InChIKeyDDHBLOGRXLAKCP-UHFFFAOYSA-N
MW324.46 g/mol
LogP3.92
Rot. Bonds3

About [2-(4-methylcyclohexyl)-1,3-dioxan-5-yl] 4-methylcyclohexane-1-carboxylate

[2-(4-methylcyclohexyl)-1,3-dioxan-5-yl] 4-methylcyclohexane-1-carboxylate (PubChem CID 21359941) has the molecular formula C19H32O4 and a molecular weight of 324.46 g/mol. Its IUPAC name is [2-(4-methylcyclohexyl)-1,3-dioxan-5-yl] 4-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-(4-methylcyclohexyl)-1,3-dioxan-5-yl] 4-methylcyclohexane-1-carboxylate
PubChem CID21359941
Molecular FormulaC19H32O4
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Name[2-(4-methylcyclohexyl)-1,3-dioxan-5-yl] 4-methylcyclohexane-1-carboxylate
SMILESCC1CCC(C(=O)OC2COC(C3CCC(C)CC3)OC2)CC1
InChIInChI=1S/C19H32O4/c1-13-3-7-15(8-4-13)18(20)23-17-11-21-19(22-12-17)16-9-5-14(2)6-10-16/h13-17,19H,3-12H2,1-2H3
InChIKeyDDHBLOGRXLAKCP-UHFFFAOYSA-N
XLogP3.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate
CID 20730861
(3,4,5-trimethylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate
CID 59929179
(4-methylcyclohexyl) 4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexane-1-carboxylate
CID 59938787
CID 59881533
CID 59881533
(4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate
CID 58650724
2-(4-methylcyclohexyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane
CID 21359943
(4-methylcyclohexyl) 4-methylcyclohexane-1-carboxylate;(4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 159023786
methyl 4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane-1-carboxylate
CID 54244189
[4-(4-methylcyclohexyl)cyclohexyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;1-methyl-4-[4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane;molecular hydrogen
CID 159848305
cyclopropyl cyclopropanecarboxylate
CID 54407874
12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosan-14-yl 4-methoxycyclohexane-1-carboxylate
CID 144611969
[4-[4-(4-methylcyclohexanecarbonyl)oxycyclohexyl]cyclohexyl] 4-(methoxymethyl)cycloheptane-1-carboxylate
CID 144611952

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylcyclohexyl)-1,3-dioxan-5-yl] 4-methylcyclohexane-1-carboxylate?
The IUPAC name of [2-(4-methylcyclohexyl)-1,3-dioxan-5-yl] 4-methylcyclohexane-1-carboxylate (CID 21359941) is [2-(4-methylcyclohexyl)-1,3-dioxan-5-yl] 4-methylcyclohexane-1-carboxylate.
What is the SMILES notation for [2-(4-methylcyclohexyl)-1,3-dioxan-5-yl] 4-methylcyclohexane-1-carboxylate?
The canonical SMILES for [2-(4-methylcyclohexyl)-1,3-dioxan-5-yl] 4-methylcyclohexane-1-carboxylate is CC1CCC(C(=O)OC2COC(C3CCC(C)CC3)OC2)CC1.
What is the InChIKey of [2-(4-methylcyclohexyl)-1,3-dioxan-5-yl] 4-methylcyclohexane-1-carboxylate?
The InChIKey is DDHBLOGRXLAKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4/c1-13-3-7-15(8-4-13)18(20)23-17-11-21-19(22-12-17)16-9-5-14(2)6-10-16/h13-17,19H,3-12H2,1-2H3.
What are the key properties of [2-(4-methylcyclohexyl)-1,3-dioxan-5-yl] 4-methylcyclohexane-1-carboxylate?
[2-(4-methylcyclohexyl)-1,3-dioxan-5-yl] 4-methylcyclohexane-1-carboxylate has a molecular weight of 324.46 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylcyclohexyl)-1,3-dioxan-5-yl] 4-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 21359941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).