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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Related Compounds

10-methyl-3-methylideneundec-1-ene
CID 144855567
7,7,14-trimethylpentadecanoic acid
CID 91490028
7,7,10-trimethylundec-1-ene
CID 173422023
3-methylidenetridec-1-ene
CID 3776253
6,6-dimethyl-3-methylidenehept-1-ene
CID 153290519
(2,2-dimethyl-5-methylidenehept-6-enyl)-trimethyl-λ4-sulfane
CID 126670461
2-methyl-5-methylidenehept-6-en-2-amine
CID 126489894
(3S)-7-methyloct-1-en-3-amine
CID 144823363
16-methyl-2,2-di(prop-2-enoyl)heptadecanoic acid
CID 87576273
(E)-7-methyl-3-methylideneoct-1-en-1-ol
CID 87164847
6,6-dimethylheptanoic acid;7-methyloctanoic acid
CID 158485923
8-methyl-4-methylidenenona-1,2-diene
CID 174249080

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).