11,11,15-trimethyl-3-methylidenehexadec-1-ene

C20H38 — CID 176767312

IUPAC11,11,15-trimethyl-3-methylidenehexadec-1-ene
SMILESC=CC(=C)CCCCCCCC(C)(C)CCCC(C)C
InChIInChI=1S/C20H38/c1-7-19(4)15-11-9-8-10-12-16-20(5,6)17-13-14-18(2)3/h7,18H,1,4,8-17H2,2-3,5-6H3
InChIKeyPQLCCSBFNPGXDH-UHFFFAOYSA-N
MW278.52 g/mol
LogP7.31
Rot. Bonds13

About 11,11,15-trimethyl-3-methylidenehexadec-1-ene

11,11,15-trimethyl-3-methylidenehexadec-1-ene (PubChem CID 176767312) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 11,11,15-trimethyl-3-methylidenehexadec-1-ene.

Molecular Properties

Compound Name11,11,15-trimethyl-3-methylidenehexadec-1-ene
PubChem CID176767312
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name11,11,15-trimethyl-3-methylidenehexadec-1-ene
SMILESC=CC(=C)CCCCCCCC(C)(C)CCCC(C)C
InChIInChI=1S/C20H38/c1-7-19(4)15-11-9-8-10-12-16-20(5,6)17-13-14-18(2)3/h7,18H,1,4,8-17H2,2-3,5-6H3
InChIKeyPQLCCSBFNPGXDH-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11,11,15-trimethyl-3-methylidenehexadec-1-ene?
The IUPAC name of 11,11,15-trimethyl-3-methylidenehexadec-1-ene (CID 176767312) is 11,11,15-trimethyl-3-methylidenehexadec-1-ene.
What is the SMILES notation for 11,11,15-trimethyl-3-methylidenehexadec-1-ene?
The canonical SMILES for 11,11,15-trimethyl-3-methylidenehexadec-1-ene is C=CC(=C)CCCCCCCC(C)(C)CCCC(C)C.
What is the InChIKey of 11,11,15-trimethyl-3-methylidenehexadec-1-ene?
The InChIKey is PQLCCSBFNPGXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-7-19(4)15-11-9-8-10-12-16-20(5,6)17-13-14-18(2)3/h7,18H,1,4,8-17H2,2-3,5-6H3.
What are the key properties of 11,11,15-trimethyl-3-methylidenehexadec-1-ene?
11,11,15-trimethyl-3-methylidenehexadec-1-ene has a molecular weight of 278.52 g/mol, XLogP of 7.31, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11,15-trimethyl-3-methylidenehexadec-1-ene is sourced from PubChem (CID 176767312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).