3-methylnona-2,4-dien-2-ol

C10H18O — CID 73411930

IUPAC3-methylnona-2,4-dien-2-ol
SMILESCCCCC=CC(C)=C(C)O
InChIInChI=1S/C10H18O/c1-4-5-6-7-8-9(2)10(3)11/h7-8,11H,4-6H2,1-3H3
InChIKeyCGAQXXMSNHSMMI-UHFFFAOYSA-N
MW154.25 g/mol
LogP3.58
Rot. Bonds4

About 3-methylnona-2,4-dien-2-ol

3-methylnona-2,4-dien-2-ol (PubChem CID 73411930) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-methylnona-2,4-dien-2-ol.

Molecular Properties

Compound Name3-methylnona-2,4-dien-2-ol
PubChem CID73411930
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-methylnona-2,4-dien-2-ol
SMILESCCCCC=CC(C)=C(C)O
InChIInChI=1S/C10H18O/c1-4-5-6-7-8-9(2)10(3)11/h7-8,11H,4-6H2,1-3H3
InChIKeyCGAQXXMSNHSMMI-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylnona-2,4-dien-2-ol?
The IUPAC name of 3-methylnona-2,4-dien-2-ol (CID 73411930) is 3-methylnona-2,4-dien-2-ol.
What is the SMILES notation for 3-methylnona-2,4-dien-2-ol?
The canonical SMILES for 3-methylnona-2,4-dien-2-ol is CCCCC=CC(C)=C(C)O.
What is the InChIKey of 3-methylnona-2,4-dien-2-ol?
The InChIKey is CGAQXXMSNHSMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-5-6-7-8-9(2)10(3)11/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 3-methylnona-2,4-dien-2-ol?
3-methylnona-2,4-dien-2-ol has a molecular weight of 154.25 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylnona-2,4-dien-2-ol is sourced from PubChem (CID 73411930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).