(3S,6E)-6-methylnona-6,8-dien-1-yn-3-ol

C10H14O — CID 641355

IUPAC(3S,6E)-6-methylnona-6,8-dien-1-yn-3-ol
SMILESC#C[C@@H](O)CC/C(C)=C/C=C
InChIInChI=1S/C10H14O/c1-4-6-9(3)7-8-10(11)5-2/h2,4,6,10-11H,1,7-8H2,3H3/b9-6+/t10-/m1/s1
InChIKeyHGWDNDKLHPRICR-OLKPEBQYSA-N
MW150.22 g/mol
LogP1.89
Rot. Bonds4

About (3S,6E)-6-methylnona-6,8-dien-1-yn-3-ol

(3S,6E)-6-methylnona-6,8-dien-1-yn-3-ol (PubChem CID 641355) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (3S,6E)-6-methylnona-6,8-dien-1-yn-3-ol.

Molecular Properties

Compound Name(3S,6E)-6-methylnona-6,8-dien-1-yn-3-ol
PubChem CID641355
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(3S,6E)-6-methylnona-6,8-dien-1-yn-3-ol
SMILESC#C[C@@H](O)CC/C(C)=C/C=C
InChIInChI=1S/C10H14O/c1-4-6-9(3)7-8-10(11)5-2/h2,4,6,10-11H,1,7-8H2,3H3/b9-6+/t10-/m1/s1
InChIKeyHGWDNDKLHPRICR-OLKPEBQYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,6E)-6-methylnona-6,8-dien-1-yn-3-ol?
The IUPAC name of (3S,6E)-6-methylnona-6,8-dien-1-yn-3-ol (CID 641355) is (3S,6E)-6-methylnona-6,8-dien-1-yn-3-ol.
What is the SMILES notation for (3S,6E)-6-methylnona-6,8-dien-1-yn-3-ol?
The canonical SMILES for (3S,6E)-6-methylnona-6,8-dien-1-yn-3-ol is C#C[C@@H](O)CC/C(C)=C/C=C.
What is the InChIKey of (3S,6E)-6-methylnona-6,8-dien-1-yn-3-ol?
The InChIKey is HGWDNDKLHPRICR-OLKPEBQYSA-N. The full InChI is InChI=1S/C10H14O/c1-4-6-9(3)7-8-10(11)5-2/h2,4,6,10-11H,1,7-8H2,3H3/b9-6+/t10-/m1/s1.
What are the key properties of (3S,6E)-6-methylnona-6,8-dien-1-yn-3-ol?
(3S,6E)-6-methylnona-6,8-dien-1-yn-3-ol has a molecular weight of 150.22 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6E)-6-methylnona-6,8-dien-1-yn-3-ol is sourced from PubChem (CID 641355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).