2-methylbicyclo[8.5.1]hexadec-1-ene

C17H30 — CID 123408144

IUPAC2-methylbicyclo[8.5.1]hexadec-1-ene
SMILESCC1=C2CCCCCC(CCCCCCC1)C2
InChIInChI=1S/C17H30/c1-15-10-6-3-2-4-7-11-16-12-8-5-9-13-17(15)14-16/h16H,2-14H2,1H3
InChIKeySWGCHBVTDLSIFB-UHFFFAOYSA-N
MW234.43 g/mol
LogP6.02
Rot. Bonds

About 2-methylbicyclo[8.5.1]hexadec-1-ene

2-methylbicyclo[8.5.1]hexadec-1-ene (PubChem CID 123408144) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 2-methylbicyclo[8.5.1]hexadec-1-ene.

Molecular Properties

Compound Name2-methylbicyclo[8.5.1]hexadec-1-ene
PubChem CID123408144
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name2-methylbicyclo[8.5.1]hexadec-1-ene
SMILESCC1=C2CCCCCC(CCCCCCC1)C2
InChIInChI=1S/C17H30/c1-15-10-6-3-2-4-7-11-16-12-8-5-9-13-17(15)14-16/h16H,2-14H2,1H3
InChIKeySWGCHBVTDLSIFB-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-methylbicyclo[3.2.1]oct-1(7)-ene
CID 148582916
2-methylbicyclo[2.2.1]hept-1-ene bromide
CID 22267048
6-methylbicyclo[3.1.1]hept-1(6)-ene
CID 143372667
8-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 12753766
(1Z)-bicyclo[10.8.0]icos-1(12)-ene
CID 5377998
bicyclo[5.3.1]undecane
CID 14399147
(1Z)-bicyclo[6.2.1]undec-1-ene
CID 149112398
bicyclo[5.5.3]pentadecane
CID 59938678
bicyclo[112.2.2]octadecahectane
CID 91239791
bicyclo[4.4.2]dodecane;cyclooctane
CID 158063107
(1S)-2,3-dimethylcyclohex-2-en-1-amine
CID 129374983
2-diazobicyclo[8.8.8]hexacosane
CID 140598013

Frequently Asked Questions

What is the IUPAC name of 2-methylbicyclo[8.5.1]hexadec-1-ene?
The IUPAC name of 2-methylbicyclo[8.5.1]hexadec-1-ene (CID 123408144) is 2-methylbicyclo[8.5.1]hexadec-1-ene.
What is the SMILES notation for 2-methylbicyclo[8.5.1]hexadec-1-ene?
The canonical SMILES for 2-methylbicyclo[8.5.1]hexadec-1-ene is CC1=C2CCCCCC(CCCCCCC1)C2.
What is the InChIKey of 2-methylbicyclo[8.5.1]hexadec-1-ene?
The InChIKey is SWGCHBVTDLSIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-15-10-6-3-2-4-7-11-16-12-8-5-9-13-17(15)14-16/h16H,2-14H2,1H3.
What are the key properties of 2-methylbicyclo[8.5.1]hexadec-1-ene?
2-methylbicyclo[8.5.1]hexadec-1-ene has a molecular weight of 234.43 g/mol, XLogP of 6.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbicyclo[8.5.1]hexadec-1-ene is sourced from PubChem (CID 123408144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).