2-methylhenicos-9-ene

C22H44 — CID 54211724

IUPAC2-methylhenicos-9-ene
SMILESCCCCCCCCCCCC=CCCCCCCC(C)C
InChIInChI=1S/C22H44/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)3/h14-15,22H,4-13,16-21H2,1-3H3
InChIKeyPWKGFVZJRNIODD-UHFFFAOYSA-N
MW308.59 g/mol
LogP8.46
Rot. Bonds17

About 2-methylhenicos-9-ene

2-methylhenicos-9-ene (PubChem CID 54211724) has the molecular formula C22H44 and a molecular weight of 308.59 g/mol. Its IUPAC name is 2-methylhenicos-9-ene.

Molecular Properties

Compound Name2-methylhenicos-9-ene
PubChem CID54211724
Molecular FormulaC22H44
Molecular Weight308.59 g/mol
Exact Mass308.34
IUPAC Name2-methylhenicos-9-ene
SMILESCCCCCCCCCCCC=CCCCCCCC(C)C
InChIInChI=1S/C22H44/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)3/h14-15,22H,4-13,16-21H2,1-3H3
InChIKeyPWKGFVZJRNIODD-UHFFFAOYSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.59
LogP ≤ 58.46
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

(E)-2-methylheptadec-7-ene
CID 173124832
(Z)-22-methyltricos-9-ene
CID 152752766
(E)-2-methylheptadec-8-ene
CID 20541049
(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 2-methylhenicos-9-ene?
The IUPAC name of 2-methylhenicos-9-ene (CID 54211724) is 2-methylhenicos-9-ene.
What is the SMILES notation for 2-methylhenicos-9-ene?
The canonical SMILES for 2-methylhenicos-9-ene is CCCCCCCCCCCC=CCCCCCCC(C)C.
What is the InChIKey of 2-methylhenicos-9-ene?
The InChIKey is PWKGFVZJRNIODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)3/h14-15,22H,4-13,16-21H2,1-3H3.
What are the key properties of 2-methylhenicos-9-ene?
2-methylhenicos-9-ene has a molecular weight of 308.59 g/mol, XLogP of 8.46, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhenicos-9-ene is sourced from PubChem (CID 54211724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).