(4E,6Z)-3,5,7-trimethylnona-4,6,8-trien-4-ol

C12H20O — CID 142311406

IUPAC(4E,6Z)-3,5,7-trimethylnona-4,6,8-trien-4-ol
SMILESC=C/C(C)=C\C(C)=C(\O)C(C)CC
InChIInChI=1S/C12H20O/c1-6-9(3)8-11(5)12(13)10(4)7-2/h6,8,10,13H,1,7H2,2-5H3/b9-8-,12-11+
InChIKeyILGIWWDAGPNHRM-UONSLQGUSA-N
MW180.29 g/mol
LogP4.00
Rot. Bonds4

About (4E,6Z)-3,5,7-trimethylnona-4,6,8-trien-4-ol

(4E,6Z)-3,5,7-trimethylnona-4,6,8-trien-4-ol (PubChem CID 142311406) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (4E,6Z)-3,5,7-trimethylnona-4,6,8-trien-4-ol.

Molecular Properties

Compound Name(4E,6Z)-3,5,7-trimethylnona-4,6,8-trien-4-ol
PubChem CID142311406
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(4E,6Z)-3,5,7-trimethylnona-4,6,8-trien-4-ol
SMILESC=C/C(C)=C\C(C)=C(\O)C(C)CC
InChIInChI=1S/C12H20O/c1-6-9(3)8-11(5)12(13)10(4)7-2/h6,8,10,13H,1,7H2,2-5H3/b9-8-,12-11+
InChIKeyILGIWWDAGPNHRM-UONSLQGUSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 54.00
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

(2E,4E)-5-amino-3,6-dimethylocta-2,4-dien-2-ol
CID 130391029
(3Z)-3,5,6-trimethylocta-1,3-diene
CID 165141677
4-methylhex-1-en-3-one
CID 15724302
(4E)-2,3,5,6-tetramethylocta-2,4-diene
CID 145376996
5,6,7-trimethylnona-1,3,5-triene
CID 123607192
(3R)-3-methylpent-1-en-2-ol
CID 89203555
2-methylbuta-1,3-diene;(3E)-3-methylhexa-1,3-diene
CID 173395749
(7E,9E)-3,10-dimethyldodeca-7,9,11-trien-4-one
CID 102265677
(Z)-4,5-dimethylhept-3-ene
CID 142511472
(3Z,5E)-2-bromo-3,4,6,7-tetramethylnona-1,3,5-triene
CID 170078822
(3E,5Z)-3-fluoro-6,7-dimethylnona-1,3,5-triene
CID 170710017
(3E,5Z,7R)-6,7-dimethylnona-1,3,5-trien-3-amine
CID 145244449

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-3,5,7-trimethylnona-4,6,8-trien-4-ol?
The IUPAC name of (4E,6Z)-3,5,7-trimethylnona-4,6,8-trien-4-ol (CID 142311406) is (4E,6Z)-3,5,7-trimethylnona-4,6,8-trien-4-ol.
What is the SMILES notation for (4E,6Z)-3,5,7-trimethylnona-4,6,8-trien-4-ol?
The canonical SMILES for (4E,6Z)-3,5,7-trimethylnona-4,6,8-trien-4-ol is C=C/C(C)=C\C(C)=C(\O)C(C)CC.
What is the InChIKey of (4E,6Z)-3,5,7-trimethylnona-4,6,8-trien-4-ol?
The InChIKey is ILGIWWDAGPNHRM-UONSLQGUSA-N. The full InChI is InChI=1S/C12H20O/c1-6-9(3)8-11(5)12(13)10(4)7-2/h6,8,10,13H,1,7H2,2-5H3/b9-8-,12-11+.
What are the key properties of (4E,6Z)-3,5,7-trimethylnona-4,6,8-trien-4-ol?
(4E,6Z)-3,5,7-trimethylnona-4,6,8-trien-4-ol has a molecular weight of 180.29 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-3,5,7-trimethylnona-4,6,8-trien-4-ol is sourced from PubChem (CID 142311406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).