cis-(1R,2S)-4-hexylcyclopentane-1,2-diol

C11H22O2 — CID 52916276

IUPACcis-(1R,2S)-4-hexylcyclopentane-1,2-diol
SMILESCCCCCCC1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C11H22O2/c1-2-3-4-5-6-9-7-10(12)11(13)8-9/h9-13H,2-8H2,1H3/t9?,10-,11+
InChIKeyMOUJKBRSJPKGSV-FGWVZKOKSA-N
MW186.29 g/mol
LogP2.09
Rot. Bonds5

About cis-(1R,2S)-4-hexylcyclopentane-1,2-diol

cis-(1R,2S)-4-hexylcyclopentane-1,2-diol (PubChem CID 52916276) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is cis-(1R,2S)-4-hexylcyclopentane-1,2-diol.

Molecular Properties

Compound Namecis-(1R,2S)-4-hexylcyclopentane-1,2-diol
PubChem CID52916276
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Namecis-(1R,2S)-4-hexylcyclopentane-1,2-diol
SMILESCCCCCCC1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C11H22O2/c1-2-3-4-5-6-9-7-10(12)11(13)8-9/h9-13H,2-8H2,1H3/t9?,10-,11+
InChIKeyMOUJKBRSJPKGSV-FGWVZKOKSA-N
XLogP2.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-4-hexylcyclopentane-1,2-diol?
The IUPAC name of cis-(1R,2S)-4-hexylcyclopentane-1,2-diol (CID 52916276) is cis-(1R,2S)-4-hexylcyclopentane-1,2-diol.
What is the SMILES notation for cis-(1R,2S)-4-hexylcyclopentane-1,2-diol?
The canonical SMILES for cis-(1R,2S)-4-hexylcyclopentane-1,2-diol is CCCCCCC1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of cis-(1R,2S)-4-hexylcyclopentane-1,2-diol?
The InChIKey is MOUJKBRSJPKGSV-FGWVZKOKSA-N. The full InChI is InChI=1S/C11H22O2/c1-2-3-4-5-6-9-7-10(12)11(13)8-9/h9-13H,2-8H2,1H3/t9?,10-,11+.
What are the key properties of cis-(1R,2S)-4-hexylcyclopentane-1,2-diol?
cis-(1R,2S)-4-hexylcyclopentane-1,2-diol has a molecular weight of 186.29 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-4-hexylcyclopentane-1,2-diol is sourced from PubChem (CID 52916276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).