(4R,6S)-6,10-dimethylundec-9-en-1-yn-4-ol

C13H22O — CID 134904251

IUPAC(4R,6S)-6,10-dimethylundec-9-en-1-yn-4-ol
SMILESC#CC[C@H](O)C[C@@H](C)CCC=C(C)C
InChIInChI=1S/C13H22O/c1-5-7-13(14)10-12(4)9-6-8-11(2)3/h1,8,12-14H,6-7,9-10H2,2-4H3/t12-,13-/m0/s1
InChIKeyOKGPEBZTEAPYEV-STQMWFEESA-N
MW194.32 g/mol
LogP3.14
Rot. Bonds6

About (4R,6S)-6,10-dimethylundec-9-en-1-yn-4-ol

(4R,6S)-6,10-dimethylundec-9-en-1-yn-4-ol (PubChem CID 134904251) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (4R,6S)-6,10-dimethylundec-9-en-1-yn-4-ol.

Molecular Properties

Compound Name(4R,6S)-6,10-dimethylundec-9-en-1-yn-4-ol
PubChem CID134904251
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(4R,6S)-6,10-dimethylundec-9-en-1-yn-4-ol
SMILESC#CC[C@H](O)C[C@@H](C)CCC=C(C)C
InChIInChI=1S/C13H22O/c1-5-7-13(14)10-12(4)9-6-8-11(2)3/h1,8,12-14H,6-7,9-10H2,2-4H3/t12-,13-/m0/s1
InChIKeyOKGPEBZTEAPYEV-STQMWFEESA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-6,10-dimethylundec-9-en-1-yn-4-ol?
The IUPAC name of (4R,6S)-6,10-dimethylundec-9-en-1-yn-4-ol (CID 134904251) is (4R,6S)-6,10-dimethylundec-9-en-1-yn-4-ol.
What is the SMILES notation for (4R,6S)-6,10-dimethylundec-9-en-1-yn-4-ol?
The canonical SMILES for (4R,6S)-6,10-dimethylundec-9-en-1-yn-4-ol is C#CC[C@H](O)C[C@@H](C)CCC=C(C)C.
What is the InChIKey of (4R,6S)-6,10-dimethylundec-9-en-1-yn-4-ol?
The InChIKey is OKGPEBZTEAPYEV-STQMWFEESA-N. The full InChI is InChI=1S/C13H22O/c1-5-7-13(14)10-12(4)9-6-8-11(2)3/h1,8,12-14H,6-7,9-10H2,2-4H3/t12-,13-/m0/s1.
What are the key properties of (4R,6S)-6,10-dimethylundec-9-en-1-yn-4-ol?
(4R,6S)-6,10-dimethylundec-9-en-1-yn-4-ol has a molecular weight of 194.32 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-6,10-dimethylundec-9-en-1-yn-4-ol is sourced from PubChem (CID 134904251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).