1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-ene

C16H20 — CID 598261

IUPAC1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-ene
SMILESCC12CCC(C=C1c1ccccc1)C2(C)C
InChIInChI=1S/C16H20/c1-15(2)13-9-10-16(15,3)14(11-13)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3
InChIKeyUGHYRYIIEGTPGS-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.53
Rot. Bonds1

About 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-ene

1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-ene (PubChem CID 598261) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-ene
PubChem CID598261
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-ene
SMILESCC12CCC(C=C1c1ccccc1)C2(C)C
InChIInChI=1S/C16H20/c1-15(2)13-9-10-16(15,3)14(11-13)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3
InChIKeyUGHYRYIIEGTPGS-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 7406
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CID 7366
4-tert-Butyltoluene
CID 7390
Sec-Butylbenzene
CID 8680
Dodecylbenzene
CID 31237
4-Phenylcyclohexene
CID 21096
Cyclohexylbenzene
CID 13229
1,4-Di-tert-butylbenzene
CID 13895
tert-Amylbenzene
CID 16295
4-tert-Butylstyrene
CID 15627
Undecylbenzene
CID 23194
Dimethyldiphenylmethane
CID 13065

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-ene (CID 598261) is 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-ene is CC12CCC(C=C1c1ccccc1)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-ene?
The InChIKey is UGHYRYIIEGTPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-15(2)13-9-10-16(15,3)14(11-13)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3.
What are the key properties of 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-ene?
1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-ene has a molecular weight of 212.34 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 598261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).