(5-methyl-2-propan-2-ylcyclohexyl) 5-hydroxyhexanoate

C16H30O3 — CID 155667718

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 5-hydroxyhexanoate
SMILESCC(O)CCCC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C16H30O3/c1-11(2)14-9-8-12(3)10-15(14)19-16(18)7-5-6-13(4)17/h11-15,17H,5-10H2,1-4H3
InChIKeyXXXULKMSHYIODF-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.54
Rot. Bonds6

About (5-methyl-2-propan-2-ylcyclohexyl) 5-hydroxyhexanoate

(5-methyl-2-propan-2-ylcyclohexyl) 5-hydroxyhexanoate (PubChem CID 155667718) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 5-hydroxyhexanoate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 5-hydroxyhexanoate
PubChem CID155667718
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 5-hydroxyhexanoate
SMILESCC(O)CCCC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C16H30O3/c1-11(2)14-9-8-12(3)10-15(14)19-16(18)7-5-6-13(4)17/h11-15,17H,5-10H2,1-4H3
InChIKeyXXXULKMSHYIODF-UHFFFAOYSA-N
XLogP3.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-hydroxybutanoate
CID 134294532
1-O-(5-methyl-2-propan-2-ylcyclohexyl) 4-O-[(5R)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 70248919
1-O-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-O-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 124925356
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] decanoate
CID 12738088
6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxohexanoic acid
CID 59998551
6-[(5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxohexanoic acid
CID 91037889
(5-methyl-2-propan-2-ylcyclohexyl) 6-oxoheptanoate
CID 20778190
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-chlorobutanoate
CID 46222504
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxyacetate
CID 39870900
4-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-oxobutanoic acid;5-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxopentanoic acid
CID 159416480
bis(bis(5-methyl-2-propan-2-ylcyclohexyl) butanedioate);pentanedioic acid
CID 175337786
(5-methyl-2-propan-2-ylcyclohexyl) 4-(dimethylamino)-4-hydroxybutanoate
CID 174720403

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 5-hydroxyhexanoate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 5-hydroxyhexanoate (CID 155667718) is (5-methyl-2-propan-2-ylcyclohexyl) 5-hydroxyhexanoate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 5-hydroxyhexanoate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 5-hydroxyhexanoate is CC(O)CCCC(=O)OC1CC(C)CCC1C(C)C.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 5-hydroxyhexanoate?
The InChIKey is XXXULKMSHYIODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-11(2)14-9-8-12(3)10-15(14)19-16(18)7-5-6-13(4)17/h11-15,17H,5-10H2,1-4H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 5-hydroxyhexanoate?
(5-methyl-2-propan-2-ylcyclohexyl) 5-hydroxyhexanoate has a molecular weight of 270.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) 5-hydroxyhexanoate is sourced from PubChem (CID 155667718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).