4,5,7-trimethyl-7-pent-1-en-2-yl-6-pent-1-en-3-yldodeca-1,5,8-triene

C25H42 — CID 140976795

IUPAC4,5,7-trimethyl-7-pent-1-en-2-yl-6-pent-1-en-3-yldodeca-1,5,8-triene
SMILESC=CCC(C)C(C)=C(C(C=C)CC)C(C)(C=CCCC)C(=C)CCC
InChIInChI=1S/C25H42/c1-10-15-16-19-25(9,21(7)18-12-3)24(23(13-4)14-5)22(8)20(6)17-11-2/h11,13,16,19-20,23H,2,4,7,10,12,14-15,17-18H2,1,3,5-6,8-9H3
InChIKeyPRFLLHRPYFFEOM-UHFFFAOYSA-N
MW342.61 g/mol
LogP8.45
Rot. Bonds13

About 4,5,7-trimethyl-7-pent-1-en-2-yl-6-pent-1-en-3-yldodeca-1,5,8-triene

4,5,7-trimethyl-7-pent-1-en-2-yl-6-pent-1-en-3-yldodeca-1,5,8-triene (PubChem CID 140976795) has the molecular formula C25H42 and a molecular weight of 342.61 g/mol. Its IUPAC name is 4,5,7-trimethyl-7-pent-1-en-2-yl-6-pent-1-en-3-yldodeca-1,5,8-triene.

Molecular Properties

Compound Name4,5,7-trimethyl-7-pent-1-en-2-yl-6-pent-1-en-3-yldodeca-1,5,8-triene
PubChem CID140976795
Molecular FormulaC25H42
Molecular Weight342.61 g/mol
Exact Mass342.33
IUPAC Name4,5,7-trimethyl-7-pent-1-en-2-yl-6-pent-1-en-3-yldodeca-1,5,8-triene
SMILESC=CCC(C)C(C)=C(C(C=C)CC)C(C)(C=CCCC)C(=C)CCC
InChIInChI=1S/C25H42/c1-10-15-16-19-25(9,21(7)18-12-3)24(23(13-4)14-5)22(8)20(6)17-11-2/h11,13,16,19-20,23H,2,4,7,10,12,14-15,17-18H2,1,3,5-6,8-9H3
InChIKeyPRFLLHRPYFFEOM-UHFFFAOYSA-N
XLogP8.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,5,7-trimethyl-7-pent-1-en-2-yl-6-pent-1-en-3-yldodeca-1,5,8-triene with MolForge

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Related Compounds

4-ethyl-5-propylnona-1,5-diene
CID 173391787
6-but-3-en-2-yl-4-methylundeca-4,7-diene
CID 173062275
(5E)-nona-1,5-dien-4-ol
CID 10931514
3,5-diethyl-4-methylhepta-1,4-diene
CID 145063938
(5Z)-3-methylnona-1,5-diene
CID 145064168
5,6,7-trimethyldeca-2,6-diene
CID 123505419
(E)-2,2-dimethylhept-3-ene
CID 5352650
3-ethenylhex-5-en-2-one
CID 529432
2,2,4-trimethylhept-6-en-3-one
CID 130027108
deca-1,6-dien-3-ol
CID 56622854
(E)-2,5-dimethyldec-6-en-5-ol
CID 135000141
3-methyl-2-(3-methylhexa-1,5-dien-2-yloxy)hexa-1,5-diene
CID 23092200

Frequently Asked Questions

What is the IUPAC name of 4,5,7-trimethyl-7-pent-1-en-2-yl-6-pent-1-en-3-yldodeca-1,5,8-triene?
The IUPAC name of 4,5,7-trimethyl-7-pent-1-en-2-yl-6-pent-1-en-3-yldodeca-1,5,8-triene (CID 140976795) is 4,5,7-trimethyl-7-pent-1-en-2-yl-6-pent-1-en-3-yldodeca-1,5,8-triene.
What is the SMILES notation for 4,5,7-trimethyl-7-pent-1-en-2-yl-6-pent-1-en-3-yldodeca-1,5,8-triene?
The canonical SMILES for 4,5,7-trimethyl-7-pent-1-en-2-yl-6-pent-1-en-3-yldodeca-1,5,8-triene is C=CCC(C)C(C)=C(C(C=C)CC)C(C)(C=CCCC)C(=C)CCC.
What is the InChIKey of 4,5,7-trimethyl-7-pent-1-en-2-yl-6-pent-1-en-3-yldodeca-1,5,8-triene?
The InChIKey is PRFLLHRPYFFEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42/c1-10-15-16-19-25(9,21(7)18-12-3)24(23(13-4)14-5)22(8)20(6)17-11-2/h11,13,16,19-20,23H,2,4,7,10,12,14-15,17-18H2,1,3,5-6,8-9H3.
What are the key properties of 4,5,7-trimethyl-7-pent-1-en-2-yl-6-pent-1-en-3-yldodeca-1,5,8-triene?
4,5,7-trimethyl-7-pent-1-en-2-yl-6-pent-1-en-3-yldodeca-1,5,8-triene has a molecular weight of 342.61 g/mol, XLogP of 8.45, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7-trimethyl-7-pent-1-en-2-yl-6-pent-1-en-3-yldodeca-1,5,8-triene is sourced from PubChem (CID 140976795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).