2-(cyclohexen-1-yl)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene

C16H24 — CID 156785118

IUPAC2-(cyclohexen-1-yl)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
SMILESCC12CCC(C=C1C1=CCCCC1)C2(C)C
InChIInChI=1S/C16H24/c1-15(2)13-9-10-16(15,3)14(11-13)12-7-5-4-6-8-12/h7,11,13H,4-6,8-10H2,1-3H3
InChIKeyLVRRHFXXYSUVMM-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.87
Rot. Bonds1

About 2-(cyclohexen-1-yl)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene

2-(cyclohexen-1-yl)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene (PubChem CID 156785118) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
PubChem CID156785118
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name2-(cyclohexen-1-yl)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
SMILESCC12CCC(C=C1C1=CCCCC1)C2(C)C
InChIInChI=1S/C16H24/c1-15(2)13-9-10-16(15,3)14(11-13)12-7-5-4-6-8-12/h7,11,13H,4-6,8-10H2,1-3H3
InChIKeyLVRRHFXXYSUVMM-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]hept-2-ene
CID 71442839
(1R,4R)-1,7,7-trimethyl-2-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]ditellanyl]bicyclo[2.2.1]hept-2-ene
CID 122369565
(1R)-1,7,7-trimethyl-2-methylsulfanylbicyclo[2.2.1]hept-2-ene
CID 71443158
2-bromo-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)pyridine
CID 91113610
1-(cyclodecen-1-yl)cyclodecene
CID 54296371
(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940
4-[[2-[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]phenyl]methylidene]piperidine
CID 141314333
CID 67945351
CID 67945351
1-(cyclopenten-1-yl)cyclooctene
CID 91463872
6-(cyclohexen-1-yl)-1,6-di(cyclopenten-1-yl)cyclohexene
CID 141056447
cycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 106655849
4-(2-fluoro-5-hydroxyphenyl)-3-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]benzaldehyde
CID 88914964

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 2-(cyclohexen-1-yl)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene (CID 156785118) is 2-(cyclohexen-1-yl)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 2-(cyclohexen-1-yl)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene is CC12CCC(C=C1C1=CCCCC1)C2(C)C.
What is the InChIKey of 2-(cyclohexen-1-yl)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene?
The InChIKey is LVRRHFXXYSUVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-15(2)13-9-10-16(15,3)14(11-13)12-7-5-4-6-8-12/h7,11,13H,4-6,8-10H2,1-3H3.
What are the key properties of 2-(cyclohexen-1-yl)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene?
2-(cyclohexen-1-yl)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene has a molecular weight of 216.37 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 156785118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).