(E)-2-methylheptadec-8-ene

C18H36 — CID 20541049

IUPAC(E)-2-methylheptadec-8-ene
SMILESCCCCCCCC/C=C/CCCCCC(C)C
InChIInChI=1S/C18H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h11-12,18H,4-10,13-17H2,1-3H3/b12-11+
InChIKeyBYLYIYXLPKDWIJ-VAWYXSNFSA-N
MW252.49 g/mol
LogP6.90
Rot. Bonds13

About (E)-2-methylheptadec-8-ene

(E)-2-methylheptadec-8-ene (PubChem CID 20541049) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is (E)-2-methylheptadec-8-ene.

Molecular Properties

Compound Name(E)-2-methylheptadec-8-ene
PubChem CID20541049
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name(E)-2-methylheptadec-8-ene
SMILESCCCCCCCC/C=C/CCCCCC(C)C
InChIInChI=1S/C18H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h11-12,18H,4-10,13-17H2,1-3H3/b12-11+
InChIKeyBYLYIYXLPKDWIJ-VAWYXSNFSA-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

2-methylhenicos-9-ene
CID 54211724
(E)-2-methylheptadec-7-ene
CID 173124832
(Z)-22-methyltricos-9-ene
CID 152752766
(Z)-11-methyldodec-5-ene
CID 159147265
(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene
CID 161032897
(Z)-2,16-dimethylheptadec-6-ene
CID 176630987
(E)-2,16-dimethylheptadec-6-ene
CID 176630989
(E)-2,13-dimethyltetradec-7-ene
CID 176630990
10-methylundec-3-ene
CID 544769
12-methylicos-6-ene
CID 91498266

Frequently Asked Questions

What is the IUPAC name of (E)-2-methylheptadec-8-ene?
The IUPAC name of (E)-2-methylheptadec-8-ene (CID 20541049) is (E)-2-methylheptadec-8-ene.
What is the SMILES notation for (E)-2-methylheptadec-8-ene?
The canonical SMILES for (E)-2-methylheptadec-8-ene is CCCCCCCC/C=C/CCCCCC(C)C.
What is the InChIKey of (E)-2-methylheptadec-8-ene?
The InChIKey is BYLYIYXLPKDWIJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h11-12,18H,4-10,13-17H2,1-3H3/b12-11+.
What are the key properties of (E)-2-methylheptadec-8-ene?
(E)-2-methylheptadec-8-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 (E)-2-methylheptadec-8-ene is sourced from PubChem (CID 20541049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).