bicyclo[7.7.0]hexadec-1(9)-ene

C16H28 — CID 534882

IUPACbicyclo[7.7.0]hexadec-1(9)-ene
SMILESC1CCCC2=C(CCC1)CCCCCCC2
InChIInChI=1S/C16H28/c1-3-7-11-15-13-9-5-2-6-10-14-16(15)12-8-4-1/h1-14H2/b16-15-
InChIKeyVDSRGLHRGHJFHU-NXVVXOECSA-N
MW220.40 g/mol
LogP5.77
Rot. Bonds

About bicyclo[7.7.0]hexadec-1(9)-ene

bicyclo[7.7.0]hexadec-1(9)-ene (PubChem CID 534882) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is bicyclo[7.7.0]hexadec-1(9)-ene.

Molecular Properties

Compound Namebicyclo[7.7.0]hexadec-1(9)-ene
PubChem CID534882
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Namebicyclo[7.7.0]hexadec-1(9)-ene
SMILESC1CCCC2=C(CCC1)CCCCCCC2
InChIInChI=1S/C16H28/c1-3-7-11-15-13-9-5-2-6-10-14-16(15)12-8-4-1/h1-14H2/b16-15-
InChIKeyVDSRGLHRGHJFHU-NXVVXOECSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.77
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

Cyclohexene, 1-ethyl-2-methyl-
CID 88242
2-Octene, 2,3-dimethyl-
CID 140599
Cycloheptene, 1,2-dimethyl-
CID 519742
5,6-Dibutyl-dec-5-ene
CID 11807167
3-Ethyl-2-methyloct-2-ene
CID 85682407
1,2-Dioctylcyclopropene
CID 556893
Cyclooctene, 1,2-dimethyl-
CID 5362808
2-Methyl-3-ethyl-2-heptene
CID 140589
Tri(butyl)vinyltin
CID 53438229
1,2-Diethylcyclohex-1-ene
CID 21960480
Diethylcyclopentene
CID 53658550
1,2-Dipentylcyclopropene
CID 549365

Frequently Asked Questions

What is the IUPAC name of bicyclo[7.7.0]hexadec-1(9)-ene?
The IUPAC name of bicyclo[7.7.0]hexadec-1(9)-ene (CID 534882) is bicyclo[7.7.0]hexadec-1(9)-ene.
What is the SMILES notation for bicyclo[7.7.0]hexadec-1(9)-ene?
The canonical SMILES for bicyclo[7.7.0]hexadec-1(9)-ene is C1CCCC2=C(CCC1)CCCCCCC2.
What is the InChIKey of bicyclo[7.7.0]hexadec-1(9)-ene?
The InChIKey is VDSRGLHRGHJFHU-NXVVXOECSA-N. The full InChI is InChI=1S/C16H28/c1-3-7-11-15-13-9-5-2-6-10-14-16(15)12-8-4-1/h1-14H2/b16-15-.
What are the key properties of bicyclo[7.7.0]hexadec-1(9)-ene?
bicyclo[7.7.0]hexadec-1(9)-ene has a molecular weight of 220.40 g/mol, XLogP of 5.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[7.7.0]hexadec-1(9)-ene is sourced from PubChem (CID 534882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).