(4S)-2-methyldec-2-en-4-ol

C11H22O — CID 10397227

IUPAC(4S)-2-methyldec-2-en-4-ol
SMILESCCCCCC[C@H](O)C=C(C)C
InChIInChI=1S/C11H22O/c1-4-5-6-7-8-11(12)9-10(2)3/h9,11-12H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyNLBZVNOKHJLXBL-NSHDSACASA-N
MW170.30 g/mol
LogP3.28
Rot. Bonds6

About (4S)-2-methyldec-2-en-4-ol

(4S)-2-methyldec-2-en-4-ol (PubChem CID 10397227) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (4S)-2-methyldec-2-en-4-ol.

Molecular Properties

Compound Name(4S)-2-methyldec-2-en-4-ol
PubChem CID10397227
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(4S)-2-methyldec-2-en-4-ol
SMILESCCCCCC[C@H](O)C=C(C)C
InChIInChI=1S/C11H22O/c1-4-5-6-7-8-11(12)9-10(2)3/h9,11-12H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyNLBZVNOKHJLXBL-NSHDSACASA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.28
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 (4S)-2-methyldec-2-en-4-ol?
The IUPAC name of (4S)-2-methyldec-2-en-4-ol (CID 10397227) is (4S)-2-methyldec-2-en-4-ol.
What is the SMILES notation for (4S)-2-methyldec-2-en-4-ol?
The canonical SMILES for (4S)-2-methyldec-2-en-4-ol is CCCCCC[C@H](O)C=C(C)C.
What is the InChIKey of (4S)-2-methyldec-2-en-4-ol?
The InChIKey is NLBZVNOKHJLXBL-NSHDSACASA-N. The full InChI is InChI=1S/C11H22O/c1-4-5-6-7-8-11(12)9-10(2)3/h9,11-12H,4-8H2,1-3H3/t11-/m0/s1.
What are the key properties of (4S)-2-methyldec-2-en-4-ol?
(4S)-2-methyldec-2-en-4-ol has a molecular weight of 170.30 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methyldec-2-en-4-ol is sourced from PubChem (CID 10397227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).