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

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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).