3-(2,2-dimethylpropyl)-3-[1-(2,2-dimethylpropyl)cyclohex-3-en-1-yl]cyclohexene

C22H38 — CID 173043089

IUPAC3-(2,2-dimethylpropyl)-3-[1-(2,2-dimethylpropyl)cyclohex-3-en-1-yl]cyclohexene
SMILESCC(C)(C)CC1(C2(CC(C)(C)C)CC=CCC2)C=CCCC1
InChIInChI=1S/C22H38/c1-19(2,3)17-21(13-9-7-10-14-21)22(18-20(4,5)6)15-11-8-12-16-22/h7,9,11,15H,8,10,12-14,16-18H2,1-6H3
InChIKeyQMDQRDPZEAPNHD-UHFFFAOYSA-N
MW302.55 g/mol
LogP7.31
Rot. Bonds3

About 3-(2,2-dimethylpropyl)-3-[1-(2,2-dimethylpropyl)cyclohex-3-en-1-yl]cyclohexene

3-(2,2-dimethylpropyl)-3-[1-(2,2-dimethylpropyl)cyclohex-3-en-1-yl]cyclohexene (PubChem CID 173043089) has the molecular formula C22H38 and a molecular weight of 302.55 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-3-[1-(2,2-dimethylpropyl)cyclohex-3-en-1-yl]cyclohexene.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-3-[1-(2,2-dimethylpropyl)cyclohex-3-en-1-yl]cyclohexene
PubChem CID173043089
Molecular FormulaC22H38
Molecular Weight302.55 g/mol
Exact Mass302.30
IUPAC Name3-(2,2-dimethylpropyl)-3-[1-(2,2-dimethylpropyl)cyclohex-3-en-1-yl]cyclohexene
SMILESCC(C)(C)CC1(C2(CC(C)(C)C)CC=CCC2)C=CCCC1
InChIInChI=1S/C22H38/c1-19(2,3)17-21(13-9-7-10-14-21)22(18-20(4,5)6)15-11-8-12-16-22/h7,9,11,15H,8,10,12-14,16-18H2,1-6H3
InChIKeyQMDQRDPZEAPNHD-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.55
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-3-[1-(2,2-dimethylpropyl)cyclohex-3-en-1-yl]cyclohexene?
The IUPAC name of 3-(2,2-dimethylpropyl)-3-[1-(2,2-dimethylpropyl)cyclohex-3-en-1-yl]cyclohexene (CID 173043089) is 3-(2,2-dimethylpropyl)-3-[1-(2,2-dimethylpropyl)cyclohex-3-en-1-yl]cyclohexene.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-3-[1-(2,2-dimethylpropyl)cyclohex-3-en-1-yl]cyclohexene?
The canonical SMILES for 3-(2,2-dimethylpropyl)-3-[1-(2,2-dimethylpropyl)cyclohex-3-en-1-yl]cyclohexene is CC(C)(C)CC1(C2(CC(C)(C)C)CC=CCC2)C=CCCC1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-3-[1-(2,2-dimethylpropyl)cyclohex-3-en-1-yl]cyclohexene?
The InChIKey is QMDQRDPZEAPNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38/c1-19(2,3)17-21(13-9-7-10-14-21)22(18-20(4,5)6)15-11-8-12-16-22/h7,9,11,15H,8,10,12-14,16-18H2,1-6H3.
What are the key properties of 3-(2,2-dimethylpropyl)-3-[1-(2,2-dimethylpropyl)cyclohex-3-en-1-yl]cyclohexene?
3-(2,2-dimethylpropyl)-3-[1-(2,2-dimethylpropyl)cyclohex-3-en-1-yl]cyclohexene has a molecular weight of 302.55 g/mol, XLogP of 7.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-3-[1-(2,2-dimethylpropyl)cyclohex-3-en-1-yl]cyclohexene is sourced from PubChem (CID 173043089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).