11-methylheptadec-6-ene

C18H36 — CID 91113943

IUPAC11-methylheptadec-6-ene
SMILESCCCCCC=CCCCC(C)CCCCCC
InChIInChI=1S/C18H36/c1-4-6-8-10-11-12-13-15-17-18(3)16-14-9-7-5-2/h11-12,18H,4-10,13-17H2,1-3H3
InChIKeyZSYQSSZBWLGQCE-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.90
Rot. Bonds13

About 11-methylheptadec-6-ene

11-methylheptadec-6-ene (PubChem CID 91113943) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 11-methylheptadec-6-ene.

Molecular Properties

Compound Name11-methylheptadec-6-ene
PubChem CID91113943
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name11-methylheptadec-6-ene
SMILESCCCCCC=CCCCC(C)CCCCCC
InChIInChI=1S/C18H36/c1-4-6-8-10-11-12-13-15-17-18(3)16-14-9-7-5-2/h11-12,18H,4-10,13-17H2,1-3H3
InChIKeyZSYQSSZBWLGQCE-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.90
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

(Z)-14-methyltricos-9-ene
CID 15730850
(E)-13-methyltetracos-6-ene
CID 173194183
12-methylicos-6-ene
CID 91498266
(6E,15E)-11-methylhenicosa-6,15-diene
CID 175445271
(E)-20-methyloctacos-4-ene
CID 173194294
(E)-10,15-dimethyltricos-3-ene
CID 173194599
9,16-dimethyltetracos-11-ene
CID 123705440
5-methylheptadec-8-ene
CID 162470798
(E)-5,17,23-trimethylheptacos-13-ene
CID 173194440
(E)-10-methyloctadec-7-ene
CID 173194246
7-methylpentadec-1-en-1-ol
CID 73444585
(E)-7-methylpentadec-1-en-1-ol
CID 18427313

Frequently Asked Questions

What is the IUPAC name of 11-methylheptadec-6-ene?
The IUPAC name of 11-methylheptadec-6-ene (CID 91113943) is 11-methylheptadec-6-ene.
What is the SMILES notation for 11-methylheptadec-6-ene?
The canonical SMILES for 11-methylheptadec-6-ene is CCCCCC=CCCCC(C)CCCCCC.
What is the InChIKey of 11-methylheptadec-6-ene?
The InChIKey is ZSYQSSZBWLGQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-4-6-8-10-11-12-13-15-17-18(3)16-14-9-7-5-2/h11-12,18H,4-10,13-17H2,1-3H3.
What are the key properties of 11-methylheptadec-6-ene?
11-methylheptadec-6-ene has a molecular weight of 252.49 g/mol, XLogP of 6.90, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methylheptadec-6-ene is sourced from PubChem (CID 91113943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).