(1S)-1-methyl-2-pentylcyclopent-2-en-1-ol

C11H20O — CID 11240715

IUPAC(1S)-1-methyl-2-pentylcyclopent-2-en-1-ol
SMILESCCCCCC1=CCC[C@]1(C)O
InChIInChI=1S/C11H20O/c1-3-4-5-7-10-8-6-9-11(10,2)12/h8,12H,3-7,9H2,1-2H3/t11-/m0/s1
InChIKeyBIMBVQGLFMTTDH-NSHDSACASA-N
MW168.28 g/mol
LogP3.04
Rot. Bonds4

About (1S)-1-methyl-2-pentylcyclopent-2-en-1-ol

(1S)-1-methyl-2-pentylcyclopent-2-en-1-ol (PubChem CID 11240715) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (1S)-1-methyl-2-pentylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S)-1-methyl-2-pentylcyclopent-2-en-1-ol
PubChem CID11240715
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(1S)-1-methyl-2-pentylcyclopent-2-en-1-ol
SMILESCCCCCC1=CCC[C@]1(C)O
InChIInChI=1S/C11H20O/c1-3-4-5-7-10-8-6-9-11(10,2)12/h8,12H,3-7,9H2,1-2H3/t11-/m0/s1
InChIKeyBIMBVQGLFMTTDH-NSHDSACASA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-methyl-2-pentylcyclopent-2-en-1-ol?
The IUPAC name of (1S)-1-methyl-2-pentylcyclopent-2-en-1-ol (CID 11240715) is (1S)-1-methyl-2-pentylcyclopent-2-en-1-ol.
What is the SMILES notation for (1S)-1-methyl-2-pentylcyclopent-2-en-1-ol?
The canonical SMILES for (1S)-1-methyl-2-pentylcyclopent-2-en-1-ol is CCCCCC1=CCC[C@]1(C)O.
What is the InChIKey of (1S)-1-methyl-2-pentylcyclopent-2-en-1-ol?
The InChIKey is BIMBVQGLFMTTDH-NSHDSACASA-N. The full InChI is InChI=1S/C11H20O/c1-3-4-5-7-10-8-6-9-11(10,2)12/h8,12H,3-7,9H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-methyl-2-pentylcyclopent-2-en-1-ol?
(1S)-1-methyl-2-pentylcyclopent-2-en-1-ol has a molecular weight of 168.28 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methyl-2-pentylcyclopent-2-en-1-ol is sourced from PubChem (CID 11240715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).