4-methylnona-4,6-dien-3-ol

C10H18O — CID 90740001

IUPAC4-methylnona-4,6-dien-3-ol
SMILESCCC=CC=C(C)C(O)CC
InChIInChI=1S/C10H18O/c1-4-6-7-8-9(3)10(11)5-2/h6-8,10-11H,4-5H2,1-3H3
InChIKeyOIFAGEOQLVBXHU-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.67
Rot. Bonds4

About 4-methylnona-4,6-dien-3-ol

4-methylnona-4,6-dien-3-ol (PubChem CID 90740001) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4-methylnona-4,6-dien-3-ol.

Molecular Properties

Compound Name4-methylnona-4,6-dien-3-ol
PubChem CID90740001
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4-methylnona-4,6-dien-3-ol
SMILESCCC=CC=C(C)C(O)CC
InChIInChI=1S/C10H18O/c1-4-6-7-8-9(3)10(11)5-2/h6-8,10-11H,4-5H2,1-3H3
InChIKeyOIFAGEOQLVBXHU-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-1-amino-2-methylhepta-2,4-dien-1-ol
CID 163982381
ethane;(2E,4Z)-hepta-2,4-dien-2-ol
CID 142115176
(2E,4E)-2-methylhepta-2,4-dien-1-ol
CID 173250100
(2Z,4Z)-N-methylhepta-2,4-dien-2-amine
CID 89431682
(2E,4Z)-2-methylhepta-2,4-diene-1-thiol
CID 145391343
(E)-5-hydroxy-4-methylhept-3-en-2-one
CID 87291528
5-hydroxy-4-methylhept-3-en-2-one
CID 90770625
ethane;(E)-2-methyl-1-(methylamino)pent-1-en-3-ol
CID 166484187
(5E)-octa-3,5-diene
CID 173104147
(2E,4Z)-N-ethylhepta-2,4-dien-2-amine
CID 166776251
(2E,4Z)-2-[(1E,3Z)-5-chlorohexa-1,3,5-trienoxy]hepta-2,4-diene
CID 143036281
ethane;2-[[(2E,4Z)-hepta-2,4-dien-2-yl]oxymethyl]oxirane
CID 144930915

Frequently Asked Questions

What is the IUPAC name of 4-methylnona-4,6-dien-3-ol?
The IUPAC name of 4-methylnona-4,6-dien-3-ol (CID 90740001) is 4-methylnona-4,6-dien-3-ol.
What is the SMILES notation for 4-methylnona-4,6-dien-3-ol?
The canonical SMILES for 4-methylnona-4,6-dien-3-ol is CCC=CC=C(C)C(O)CC.
What is the InChIKey of 4-methylnona-4,6-dien-3-ol?
The InChIKey is OIFAGEOQLVBXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-6-7-8-9(3)10(11)5-2/h6-8,10-11H,4-5H2,1-3H3.
What are the key properties of 4-methylnona-4,6-dien-3-ol?
4-methylnona-4,6-dien-3-ol has a molecular weight of 154.25 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylnona-4,6-dien-3-ol is sourced from PubChem (CID 90740001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).