(3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene

C12H18 — CID 21336128

IUPAC(3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene
SMILESC=C/C=C(C)/C(C)=C(C)/C=C/C
InChIInChI=1S/C12H18/c1-6-8-10(3)12(5)11(4)9-7-2/h6-9H,1H2,2-5H3/b9-7+,10-8+,12-11+
InChIKeyNHPSNRHODBQGBG-KPZFFMOESA-N
MW162.28 g/mol
LogP4.03
Rot. Bonds3

About (3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene

(3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene (PubChem CID 21336128) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene
PubChem CID21336128
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene
SMILESC=C/C=C(C)/C(C)=C(C)/C=C/C
InChIInChI=1S/C12H18/c1-6-8-10(3)12(5)11(4)9-7-2/h6-9H,1H2,2-5H3/b9-7+,10-8+,12-11+
InChIKeyNHPSNRHODBQGBG-KPZFFMOESA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,5,6,7,8-pentamethylundeca-1,3,5,7,9-pentaene
CID 59890757
ethane;ethene;(3Z,5Z,7Z)-5-ethenyl-4,6-dimethylnona-1,3,5,7-tetraene
CID 143865216
2-[(3Z,5E,7Z)-4,6-dimethylnona-1,3,5,7-tetraen-5-yl]oxyacetic acid
CID 142823734
(3E)-2,3,4-trimethylhepta-1,3,5-triene
CID 161260818
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
(1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine
CID 88576528
(3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane
CID 143254400
(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
(3E,6E,8Z)-4-methyl-6-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one
CID 130346277
N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine
CID 144734718
(3E,5Z)-4-bromo-3-methylhepta-1,3,5-triene
CID 144800259

Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene?
The IUPAC name of (3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene (CID 21336128) is (3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene.
What is the SMILES notation for (3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene?
The canonical SMILES for (3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene is C=C/C=C(C)/C(C)=C(C)/C=C/C.
What is the InChIKey of (3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene?
The InChIKey is NHPSNRHODBQGBG-KPZFFMOESA-N. The full InChI is InChI=1S/C12H18/c1-6-8-10(3)12(5)11(4)9-7-2/h6-9H,1H2,2-5H3/b9-7+,10-8+,12-11+.
What are the key properties of (3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene?
(3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene has a molecular weight of 162.28 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene is sourced from PubChem (CID 21336128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).