7,9,12-trimethylpentadeca-4,6,8-triene

C18H32 — CID 123487662

IUPAC7,9,12-trimethylpentadeca-4,6,8-triene
SMILESCCCC=CC=C(C)C=C(C)CCC(C)CCC
InChIInChI=1S/C18H32/c1-6-8-9-10-12-17(4)15-18(5)14-13-16(3)11-7-2/h9-10,12,15-16H,6-8,11,13-14H2,1-5H3
InChIKeySYSUNLGIJQDSBH-UHFFFAOYSA-N
MW248.45 g/mol
LogP6.45
Rot. Bonds9

About 7,9,12-trimethylpentadeca-4,6,8-triene

7,9,12-trimethylpentadeca-4,6,8-triene (PubChem CID 123487662) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 7,9,12-trimethylpentadeca-4,6,8-triene.

Molecular Properties

Compound Name7,9,12-trimethylpentadeca-4,6,8-triene
PubChem CID123487662
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name7,9,12-trimethylpentadeca-4,6,8-triene
SMILESCCCC=CC=C(C)C=C(C)CCC(C)CCC
InChIInChI=1S/C18H32/c1-6-8-9-10-12-17(4)15-18(5)14-13-16(3)11-7-2/h9-10,12,15-16H,6-8,11,13-14H2,1-5H3
InChIKeySYSUNLGIJQDSBH-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.45
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

3-methylnona-1,3,5-triene
CID 154088357
(3Z,5Z)-3-methylnona-1,3,5-triene
CID 144680511
(4E,6E,8E)-9-methyltrideca-4,6,8-trien-7-amine
CID 143649845
(2Z,4E)-5,9-dimethyldodeca-2,4-diene
CID 143714794
6-methylnon-2-ene
CID 21361194
(4E,6E)-2,6,10-trimethyltrideca-2,4,6-triene
CID 173229082
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
3-methylnona-3,5-dien-2-one
CID 173004598
4-methylheptane;propane
CID 142171269
2,7-dimethyldec-2-ene
CID 123304905
(6S)-6,10-dimethyltridecan-2-one
CID 87377837

Frequently Asked Questions

What is the IUPAC name of 7,9,12-trimethylpentadeca-4,6,8-triene?
The IUPAC name of 7,9,12-trimethylpentadeca-4,6,8-triene (CID 123487662) is 7,9,12-trimethylpentadeca-4,6,8-triene.
What is the SMILES notation for 7,9,12-trimethylpentadeca-4,6,8-triene?
The canonical SMILES for 7,9,12-trimethylpentadeca-4,6,8-triene is CCCC=CC=C(C)C=C(C)CCC(C)CCC.
What is the InChIKey of 7,9,12-trimethylpentadeca-4,6,8-triene?
The InChIKey is SYSUNLGIJQDSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-6-8-9-10-12-17(4)15-18(5)14-13-16(3)11-7-2/h9-10,12,15-16H,6-8,11,13-14H2,1-5H3.
What are the key properties of 7,9,12-trimethylpentadeca-4,6,8-triene?
7,9,12-trimethylpentadeca-4,6,8-triene has a molecular weight of 248.45 g/mol, XLogP of 6.45, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9,12-trimethylpentadeca-4,6,8-triene is sourced from PubChem (CID 123487662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).