(E)-5,11-dimethylheptadec-8-ene

C19H38 — CID 173194605

IUPAC(E)-5,11-dimethylheptadec-8-ene
SMILESCCCCCCC(C)C/C=C/CCC(C)CCCC
InChIInChI=1S/C19H38/c1-5-7-9-11-15-19(4)17-13-10-12-16-18(3)14-8-6-2/h10,13,18-19H,5-9,11-12,14-17H2,1-4H3/b13-10+
InChIKeyRONBHDHQXJRSEZ-JLHYYAGUSA-N
MW266.51 g/mol
LogP7.15
Rot. Bonds13

About (E)-5,11-dimethylheptadec-8-ene

(E)-5,11-dimethylheptadec-8-ene (PubChem CID 173194605) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is (E)-5,11-dimethylheptadec-8-ene.

Molecular Properties

Compound Name(E)-5,11-dimethylheptadec-8-ene
PubChem CID173194605
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name(E)-5,11-dimethylheptadec-8-ene
SMILESCCCCCCC(C)C/C=C/CCC(C)CCCC
InChIInChI=1S/C19H38/c1-5-7-9-11-15-19(4)17-13-10-12-16-18(3)14-8-6-2/h10,13,18-19H,5-9,11-12,14-17H2,1-4H3/b13-10+
InChIKeyRONBHDHQXJRSEZ-JLHYYAGUSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9,16-dimethyltetracos-11-ene
CID 123705440
(E)-10-methyloctadec-7-ene
CID 173194246
(E)-5-methyltetradec-7-ene
CID 173194503
8-methyltridec-5-ene
CID 123857568
5-methylheptadec-8-ene
CID 162470798
(E)-5,17,23-trimethylheptacos-13-ene
CID 173194440
(E)-13-ethyl-7-methylnonadec-9-ene
CID 173194422
4,21-dimethylpentacos-7-ene
CID 91445883
(E)-6-methylhexadec-3-ene
CID 173194211
(E)-13-methyltetracos-6-ene
CID 173194183
12-methylicos-6-ene
CID 91498266
(E)-4,9-dimethyltetradec-6-ene
CID 173273385

Frequently Asked Questions

What is the IUPAC name of (E)-5,11-dimethylheptadec-8-ene?
The IUPAC name of (E)-5,11-dimethylheptadec-8-ene (CID 173194605) is (E)-5,11-dimethylheptadec-8-ene.
What is the SMILES notation for (E)-5,11-dimethylheptadec-8-ene?
The canonical SMILES for (E)-5,11-dimethylheptadec-8-ene is CCCCCCC(C)C/C=C/CCC(C)CCCC.
What is the InChIKey of (E)-5,11-dimethylheptadec-8-ene?
The InChIKey is RONBHDHQXJRSEZ-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H38/c1-5-7-9-11-15-19(4)17-13-10-12-16-18(3)14-8-6-2/h10,13,18-19H,5-9,11-12,14-17H2,1-4H3/b13-10+.
What are the key properties of (E)-5,11-dimethylheptadec-8-ene?
(E)-5,11-dimethylheptadec-8-ene has a molecular weight of 266.51 g/mol, XLogP of 7.15, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,11-dimethylheptadec-8-ene is sourced from PubChem (CID 173194605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).