2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol

C17H32O2 — CID 139383930

IUPAC2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol
SMILESCC(CC1C[C@H](O)[C@H](C(C)C)C1)C1CCCCC1O
InChIInChI=1S/C17H32O2/c1-11(2)15-9-13(10-17(15)19)8-12(3)14-6-4-5-7-16(14)18/h11-19H,4-10H2,1-3H3/t12?,13?,14?,15-,16?,17-/m0/s1
InChIKeySZYOEDMLZFEJMD-SJEIOLMKSA-N
MW268.44 g/mol
LogP3.61
Rot. Bonds4

About 2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol

2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol (PubChem CID 139383930) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol
PubChem CID139383930
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol
SMILESCC(CC1C[C@H](O)[C@H](C(C)C)C1)C1CCCCC1O
InChIInChI=1S/C17H32O2/c1-11(2)15-9-13(10-17(15)19)8-12(3)14-6-4-5-7-16(14)18/h11-19H,4-10H2,1-3H3/t12?,13?,14?,15-,16?,17-/m0/s1
InChIKeySZYOEDMLZFEJMD-SJEIOLMKSA-N
XLogP3.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol with MolForge

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Related Compounds

2-[(2S)-1-cyclobutylpropan-2-yl]cyclopropan-1-ol
CID 89335033
2-(1-hydroxypropan-2-yl)cyclohexan-1-ol
CID 130503401
2-butan-2-ylcycloheptan-1-ol
CID 23148884
(1R,2R,4S,5R)-5-propan-2-ylcyclohexane-1,2,4-triol
CID 157009791
(1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol
CID 57387115
(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexan-1-ol
CID 15605903
cis-(1R,2R)-2-propan-2-ylcyclobutan-1-ol
CID 153486186
2-(1-hydroxyethyl)cyclodecan-1-ol
CID 23443021
trans-(1R,5R)-5-amino-2-propan-2-ylcyclohexan-1-ol
CID 130207945
(1R,3R,4S)-4-propan-2-ylcyclohexane-1,3-diol
CID 130918219
(1S,2S,4R,5S)-4,5-difluoro-2-propan-2-ylcyclohexan-1-ol
CID 177300411
2-(3-hydroxybutan-2-yl)cyclopentan-1-ol
CID 79424723

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol (CID 139383930) is 2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol is CC(CC1C[C@H](O)[C@H](C(C)C)C1)C1CCCCC1O.
What is the InChIKey of 2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol?
The InChIKey is SZYOEDMLZFEJMD-SJEIOLMKSA-N. The full InChI is InChI=1S/C17H32O2/c1-11(2)15-9-13(10-17(15)19)8-12(3)14-6-4-5-7-16(14)18/h11-19H,4-10H2,1-3H3/t12?,13?,14?,15-,16?,17-/m0/s1.
What are the key properties of 2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol?
2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 139383930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).