(3S)-1-cyclopentyl-3-methylhex-5-en-3-ol

C12H22O — CID 141162829

IUPAC(3S)-1-cyclopentyl-3-methylhex-5-en-3-ol
SMILESC=CC[C@@](C)(O)CCC1CCCC1
InChIInChI=1S/C12H22O/c1-3-9-12(2,13)10-8-11-6-4-5-7-11/h3,11,13H,1,4-10H2,2H3/t12-/m1/s1
InChIKeyXHMNARLLTRUEMN-GFCCVEGCSA-N
MW182.31 g/mol
LogP3.28
Rot. Bonds5

About (3S)-1-cyclopentyl-3-methylhex-5-en-3-ol

(3S)-1-cyclopentyl-3-methylhex-5-en-3-ol (PubChem CID 141162829) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (3S)-1-cyclopentyl-3-methylhex-5-en-3-ol.

Molecular Properties

Compound Name(3S)-1-cyclopentyl-3-methylhex-5-en-3-ol
PubChem CID141162829
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(3S)-1-cyclopentyl-3-methylhex-5-en-3-ol
SMILESC=CC[C@@](C)(O)CCC1CCCC1
InChIInChI=1S/C12H22O/c1-3-9-12(2,13)10-8-11-6-4-5-7-11/h3,11,13H,1,4-10H2,2H3/t12-/m1/s1
InChIKeyXHMNARLLTRUEMN-GFCCVEGCSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopentyl-3-methylhex-5-en-3-ol?
The IUPAC name of (3S)-1-cyclopentyl-3-methylhex-5-en-3-ol (CID 141162829) is (3S)-1-cyclopentyl-3-methylhex-5-en-3-ol.
What is the SMILES notation for (3S)-1-cyclopentyl-3-methylhex-5-en-3-ol?
The canonical SMILES for (3S)-1-cyclopentyl-3-methylhex-5-en-3-ol is C=CC[C@@](C)(O)CCC1CCCC1.
What is the InChIKey of (3S)-1-cyclopentyl-3-methylhex-5-en-3-ol?
The InChIKey is XHMNARLLTRUEMN-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H22O/c1-3-9-12(2,13)10-8-11-6-4-5-7-11/h3,11,13H,1,4-10H2,2H3/t12-/m1/s1.
What are the key properties of (3S)-1-cyclopentyl-3-methylhex-5-en-3-ol?
(3S)-1-cyclopentyl-3-methylhex-5-en-3-ol has a molecular weight of 182.31 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopentyl-3-methylhex-5-en-3-ol is sourced from PubChem (CID 141162829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).