(3Z,5E)-3-methylnona-1,3,5-trien-2-ol

C10H16O — CID 142863796

IUPAC(3Z,5E)-3-methylnona-1,3,5-trien-2-ol
SMILESC=C(O)/C(C)=C\C=C\CCC
InChIInChI=1S/C10H16O/c1-4-5-6-7-8-9(2)10(3)11/h6-8,11H,3-5H2,1-2H3/b7-6+,9-8-
InChIKeyIRRKWHSLXRHADM-MUIOLIGRSA-N
MW152.24 g/mol
LogP3.36
Rot. Bonds4

About (3Z,5E)-3-methylnona-1,3,5-trien-2-ol

(3Z,5E)-3-methylnona-1,3,5-trien-2-ol (PubChem CID 142863796) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3Z,5E)-3-methylnona-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z,5E)-3-methylnona-1,3,5-trien-2-ol
PubChem CID142863796
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3Z,5E)-3-methylnona-1,3,5-trien-2-ol
SMILESC=C(O)/C(C)=C\C=C\CCC
InChIInChI=1S/C10H16O/c1-4-5-6-7-8-9(2)10(3)11/h6-8,11H,3-5H2,1-2H3/b7-6+,9-8-
InChIKeyIRRKWHSLXRHADM-MUIOLIGRSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-methylidenenona-3,5-dienenitrile
CID 123694554
3-methylnona-3,5-dien-2-one
CID 173004598
3-methylnona-1,3,5-triene
CID 154088357
(3Z,5Z)-3-methylnona-1,3,5-triene
CID 144680511
2-methyldeca-2,4,6-trienoic acid
CID 54490128
[(3Z,5Z)-3-methylnona-1,3,5-trien-2-yl]oxycyclopentane
CID 176941862
(2Z,4E)-2-hydroxyocta-2,4-dienoic acid
CID 87665595
1-[3-[(3Z,5Z)-3-methyl-2-methylidenenona-3,5-dienyl]azetidin-1-yl]ethanone
CID 176942105
(3E)-2-methylhepta-1,3-diene
CID 12928201
2-methylhepta-1,3-diene
CID 54310621
(3Z)-hepta-1,3-diene
CID 6427773
[(3E,5E)-nona-1,3,5-trien-3-yl]benzene
CID 100974520

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-3-methylnona-1,3,5-trien-2-ol?
The IUPAC name of (3Z,5E)-3-methylnona-1,3,5-trien-2-ol (CID 142863796) is (3Z,5E)-3-methylnona-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z,5E)-3-methylnona-1,3,5-trien-2-ol?
The canonical SMILES for (3Z,5E)-3-methylnona-1,3,5-trien-2-ol is C=C(O)/C(C)=C\C=C\CCC.
What is the InChIKey of (3Z,5E)-3-methylnona-1,3,5-trien-2-ol?
The InChIKey is IRRKWHSLXRHADM-MUIOLIGRSA-N. The full InChI is InChI=1S/C10H16O/c1-4-5-6-7-8-9(2)10(3)11/h6-8,11H,3-5H2,1-2H3/b7-6+,9-8-.
What are the key properties of (3Z,5E)-3-methylnona-1,3,5-trien-2-ol?
(3Z,5E)-3-methylnona-1,3,5-trien-2-ol has a molecular weight of 152.24 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-3-methylnona-1,3,5-trien-2-ol is sourced from PubChem (CID 142863796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).