1,1-di(cyclohexa-1,5-dien-1-yl)-3,3,5-trimethylcyclohexane

C21H30 — CID 18702666

IUPAC1,1-di(cyclohexa-1,5-dien-1-yl)-3,3,5-trimethylcyclohexane
SMILESCC1CC(C)(C)CC(C2=CCCC=C2)(C2=CCCC=C2)C1
InChIInChI=1S/C21H30/c1-17-14-20(2,3)16-21(15-17,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h6,8,10-13,17H,4-5,7,9,14-16H2,1-3H3
InChIKeyUFJBXXFKJYUJHH-UHFFFAOYSA-N
MW282.47 g/mol
LogP6.37
Rot. Bonds2

About 1,1-di(cyclohexa-1,5-dien-1-yl)-3,3,5-trimethylcyclohexane

1,1-di(cyclohexa-1,5-dien-1-yl)-3,3,5-trimethylcyclohexane (PubChem CID 18702666) has the molecular formula C21H30 and a molecular weight of 282.47 g/mol. Its IUPAC name is 1,1-di(cyclohexa-1,5-dien-1-yl)-3,3,5-trimethylcyclohexane.

Molecular Properties

Compound Name1,1-di(cyclohexa-1,5-dien-1-yl)-3,3,5-trimethylcyclohexane
PubChem CID18702666
Molecular FormulaC21H30
Molecular Weight282.47 g/mol
Exact Mass282.23
IUPAC Name1,1-di(cyclohexa-1,5-dien-1-yl)-3,3,5-trimethylcyclohexane
SMILESCC1CC(C)(C)CC(C2=CCCC=C2)(C2=CCCC=C2)C1
InChIInChI=1S/C21H30/c1-17-14-20(2,3)16-21(15-17,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h6,8,10-13,17H,4-5,7,9,14-16H2,1-3H3
InChIKeyUFJBXXFKJYUJHH-UHFFFAOYSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-di(cyclohexa-1,5-dien-1-yl)-3,3,5-trimethylcyclohexane?
The IUPAC name of 1,1-di(cyclohexa-1,5-dien-1-yl)-3,3,5-trimethylcyclohexane (CID 18702666) is 1,1-di(cyclohexa-1,5-dien-1-yl)-3,3,5-trimethylcyclohexane.
What is the SMILES notation for 1,1-di(cyclohexa-1,5-dien-1-yl)-3,3,5-trimethylcyclohexane?
The canonical SMILES for 1,1-di(cyclohexa-1,5-dien-1-yl)-3,3,5-trimethylcyclohexane is CC1CC(C)(C)CC(C2=CCCC=C2)(C2=CCCC=C2)C1.
What is the InChIKey of 1,1-di(cyclohexa-1,5-dien-1-yl)-3,3,5-trimethylcyclohexane?
The InChIKey is UFJBXXFKJYUJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30/c1-17-14-20(2,3)16-21(15-17,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h6,8,10-13,17H,4-5,7,9,14-16H2,1-3H3.
What are the key properties of 1,1-di(cyclohexa-1,5-dien-1-yl)-3,3,5-trimethylcyclohexane?
1,1-di(cyclohexa-1,5-dien-1-yl)-3,3,5-trimethylcyclohexane has a molecular weight of 282.47 g/mol, XLogP of 6.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(cyclohexa-1,5-dien-1-yl)-3,3,5-trimethylcyclohexane is sourced from PubChem (CID 18702666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).