7-methylhenicos-7-ene

C22H44 — CID 173033031

IUPAC7-methylhenicos-7-ene
SMILESCCCCCCCCCCCCCC=C(C)CCCCCC
InChIInChI=1S/C22H44/c1-4-6-8-10-11-12-13-14-15-16-17-19-21-22(3)20-18-9-7-5-2/h21H,4-20H2,1-3H3
InChIKeyBDQKFCPKBFWJNY-UHFFFAOYSA-N
MW308.59 g/mol
LogP8.60
Rot. Bonds17

About 7-methylhenicos-7-ene

7-methylhenicos-7-ene (PubChem CID 173033031) has the molecular formula C22H44 and a molecular weight of 308.59 g/mol. Its IUPAC name is 7-methylhenicos-7-ene.

Molecular Properties

Compound Name7-methylhenicos-7-ene
PubChem CID173033031
Molecular FormulaC22H44
Molecular Weight308.59 g/mol
Exact Mass308.34
IUPAC Name7-methylhenicos-7-ene
SMILESCCCCCCCCCCCCCC=C(C)CCCCCC
InChIInChI=1S/C22H44/c1-4-6-8-10-11-12-13-14-15-16-17-19-21-22(3)20-18-9-7-5-2/h21H,4-20H2,1-3H3
InChIKeyBDQKFCPKBFWJNY-UHFFFAOYSA-N
XLogP8.60
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 ≤ 58.60
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

6-methyldocos-6-ene
CID 629460
(E)-9-methylnonadec-9-ene
CID 14783585
(E)-10-methylnonadec-9-ene
CID 5364653
7-methyloctadec-7-ene
CID 123477460
(E)-6-methylpentadec-5-ene;(E)-6-methylpentadec-6-ene
CID 54602757
4-methylhexadec-4-ene
CID 174447790
(E)-1-bromo-5-methylicos-4-ene
CID 172556960
(E)-3-methyldec-3-en-1-ol
CID 6428571
3-methyldec-3-en-1-ol
CID 78409313
2,6-dimethyltetradeca-2,6-diene
CID 57189781
3-methylicos-3-ene
CID 91445266
(Z)-3-methylheptadec-3-ene
CID 159647191

Frequently Asked Questions

What is the IUPAC name of 7-methylhenicos-7-ene?
The IUPAC name of 7-methylhenicos-7-ene (CID 173033031) is 7-methylhenicos-7-ene.
What is the SMILES notation for 7-methylhenicos-7-ene?
The canonical SMILES for 7-methylhenicos-7-ene is CCCCCCCCCCCCCC=C(C)CCCCCC.
What is the InChIKey of 7-methylhenicos-7-ene?
The InChIKey is BDQKFCPKBFWJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44/c1-4-6-8-10-11-12-13-14-15-16-17-19-21-22(3)20-18-9-7-5-2/h21H,4-20H2,1-3H3.
What are the key properties of 7-methylhenicos-7-ene?
7-methylhenicos-7-ene has a molecular weight of 308.59 g/mol, XLogP of 8.60, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylhenicos-7-ene is sourced from PubChem (CID 173033031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).