(6E)-2-methylnona-6,8-dien-3-ol

C10H18O — CID 14545535

IUPAC(6E)-2-methylnona-6,8-dien-3-ol
SMILESC=C/C=C/CCC(O)C(C)C
InChIInChI=1S/C10H18O/c1-4-5-6-7-8-10(11)9(2)3/h4-6,9-11H,1,7-8H2,2-3H3/b6-5+
InChIKeyYZBBHILJFNCECB-AATRIKPKSA-N
MW154.25 g/mol
LogP2.53
Rot. Bonds5

About (6E)-2-methylnona-6,8-dien-3-ol

(6E)-2-methylnona-6,8-dien-3-ol (PubChem CID 14545535) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (6E)-2-methylnona-6,8-dien-3-ol.

Molecular Properties

Compound Name(6E)-2-methylnona-6,8-dien-3-ol
PubChem CID14545535
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(6E)-2-methylnona-6,8-dien-3-ol
SMILESC=C/C=C/CCC(O)C(C)C
InChIInChI=1S/C10H18O/c1-4-5-6-7-8-10(11)9(2)3/h4-6,9-11H,1,7-8H2,2-3H3/b6-5+
InChIKeyYZBBHILJFNCECB-AATRIKPKSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E)-2-methylnona-6,8-dien-3-ol?
The IUPAC name of (6E)-2-methylnona-6,8-dien-3-ol (CID 14545535) is (6E)-2-methylnona-6,8-dien-3-ol.
What is the SMILES notation for (6E)-2-methylnona-6,8-dien-3-ol?
The canonical SMILES for (6E)-2-methylnona-6,8-dien-3-ol is C=C/C=C/CCC(O)C(C)C.
What is the InChIKey of (6E)-2-methylnona-6,8-dien-3-ol?
The InChIKey is YZBBHILJFNCECB-AATRIKPKSA-N. The full InChI is InChI=1S/C10H18O/c1-4-5-6-7-8-10(11)9(2)3/h4-6,9-11H,1,7-8H2,2-3H3/b6-5+.
What are the key properties of (6E)-2-methylnona-6,8-dien-3-ol?
(6E)-2-methylnona-6,8-dien-3-ol has a molecular weight of 154.25 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2-methylnona-6,8-dien-3-ol is sourced from PubChem (CID 14545535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).