3,3,5,5-tetramethyl-1-(2,3,3-trimethylcyclopenten-1-yl)cyclohexene

C18H30 — CID 172680415

IUPAC3,3,5,5-tetramethyl-1-(2,3,3-trimethylcyclopenten-1-yl)cyclohexene
SMILESCC1=C(C2=CC(C)(C)CC(C)(C)C2)CCC1(C)C
InChIInChI=1S/C18H30/c1-13-15(8-9-18(13,6)7)14-10-16(2,3)12-17(4,5)11-14/h10H,8-9,11-12H2,1-7H3
InChIKeyAHXZUSXKVQMOHX-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.90
Rot. Bonds1

About 3,3,5,5-tetramethyl-1-(2,3,3-trimethylcyclopenten-1-yl)cyclohexene

3,3,5,5-tetramethyl-1-(2,3,3-trimethylcyclopenten-1-yl)cyclohexene (PubChem CID 172680415) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-(2,3,3-trimethylcyclopenten-1-yl)cyclohexene.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1-(2,3,3-trimethylcyclopenten-1-yl)cyclohexene
PubChem CID172680415
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name3,3,5,5-tetramethyl-1-(2,3,3-trimethylcyclopenten-1-yl)cyclohexene
SMILESCC1=C(C2=CC(C)(C)CC(C)(C)C2)CCC1(C)C
InChIInChI=1S/C18H30/c1-13-15(8-9-18(13,6)7)14-10-16(2,3)12-17(4,5)11-14/h10H,8-9,11-12H2,1-7H3
InChIKeyAHXZUSXKVQMOHX-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-1-(2,3,3-trimethylcyclopenten-1-yl)cyclohexene?
The IUPAC name of 3,3,5,5-tetramethyl-1-(2,3,3-trimethylcyclopenten-1-yl)cyclohexene (CID 172680415) is 3,3,5,5-tetramethyl-1-(2,3,3-trimethylcyclopenten-1-yl)cyclohexene.
What is the SMILES notation for 3,3,5,5-tetramethyl-1-(2,3,3-trimethylcyclopenten-1-yl)cyclohexene?
The canonical SMILES for 3,3,5,5-tetramethyl-1-(2,3,3-trimethylcyclopenten-1-yl)cyclohexene is CC1=C(C2=CC(C)(C)CC(C)(C)C2)CCC1(C)C.
What is the InChIKey of 3,3,5,5-tetramethyl-1-(2,3,3-trimethylcyclopenten-1-yl)cyclohexene?
The InChIKey is AHXZUSXKVQMOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-13-15(8-9-18(13,6)7)14-10-16(2,3)12-17(4,5)11-14/h10H,8-9,11-12H2,1-7H3.
What are the key properties of 3,3,5,5-tetramethyl-1-(2,3,3-trimethylcyclopenten-1-yl)cyclohexene?
3,3,5,5-tetramethyl-1-(2,3,3-trimethylcyclopenten-1-yl)cyclohexene has a molecular weight of 246.44 g/mol, XLogP of 5.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-1-(2,3,3-trimethylcyclopenten-1-yl)cyclohexene is sourced from PubChem (CID 172680415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).