(1S,2S,4R)-4-cyclooctyl-2-(hydroxymethyl)cyclopentan-1-ol

C14H26O2 — CID 67518986

IUPAC(1S,2S,4R)-4-cyclooctyl-2-(hydroxymethyl)cyclopentan-1-ol
SMILESOC[C@@H]1C[C@@H](C2CCCCCCC2)C[C@@H]1O
InChIInChI=1S/C14H26O2/c15-10-13-8-12(9-14(13)16)11-6-4-2-1-3-5-7-11/h11-16H,1-10H2/t12-,13+,14+/m1/s1
InChIKeySIFLWDAWTGYUOL-RDBSUJKOSA-N
MW226.36 g/mol
LogP2.73
Rot. Bonds2

About (1S,2S,4R)-4-cyclooctyl-2-(hydroxymethyl)cyclopentan-1-ol

(1S,2S,4R)-4-cyclooctyl-2-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 67518986) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (1S,2S,4R)-4-cyclooctyl-2-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R)-4-cyclooctyl-2-(hydroxymethyl)cyclopentan-1-ol
PubChem CID67518986
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(1S,2S,4R)-4-cyclooctyl-2-(hydroxymethyl)cyclopentan-1-ol
SMILESOC[C@@H]1C[C@@H](C2CCCCCCC2)C[C@@H]1O
InChIInChI=1S/C14H26O2/c15-10-13-8-12(9-14(13)16)11-6-4-2-1-3-5-7-11/h11-16H,1-10H2/t12-,13+,14+/m1/s1
InChIKeySIFLWDAWTGYUOL-RDBSUJKOSA-N
XLogP2.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-4-cyclooctyl-2-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of (1S,2S,4R)-4-cyclooctyl-2-(hydroxymethyl)cyclopentan-1-ol (CID 67518986) is (1S,2S,4R)-4-cyclooctyl-2-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for (1S,2S,4R)-4-cyclooctyl-2-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for (1S,2S,4R)-4-cyclooctyl-2-(hydroxymethyl)cyclopentan-1-ol is OC[C@@H]1C[C@@H](C2CCCCCCC2)C[C@@H]1O.
What is the InChIKey of (1S,2S,4R)-4-cyclooctyl-2-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is SIFLWDAWTGYUOL-RDBSUJKOSA-N. The full InChI is InChI=1S/C14H26O2/c15-10-13-8-12(9-14(13)16)11-6-4-2-1-3-5-7-11/h11-16H,1-10H2/t12-,13+,14+/m1/s1.
What are the key properties of (1S,2S,4R)-4-cyclooctyl-2-(hydroxymethyl)cyclopentan-1-ol?
(1S,2S,4R)-4-cyclooctyl-2-(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-4-cyclooctyl-2-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 67518986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).