[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexane

C17H28 — CID 10955440

IUPAC[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexane
SMILESCC(C)C1=CC(C(C)C)C(C2CCCCC2)=C1
InChIInChI=1S/C17H28/c1-12(2)15-10-16(13(3)4)17(11-15)14-8-6-5-7-9-14/h10-14,16H,5-9H2,1-4H3
InChIKeyMUBKWPNSYSSTGA-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.36
Rot. Bonds3

About [3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexane

[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexane (PubChem CID 10955440) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is [3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexane.

Molecular Properties

Compound Name[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexane
PubChem CID10955440
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexane
SMILESCC(C)C1=CC(C(C)C)C(C2CCCCC2)=C1
InChIInChI=1S/C17H28/c1-12(2)15-10-16(13(3)4)17(11-15)14-8-6-5-7-9-14/h10-14,16H,5-9H2,1-4H3
InChIKeyMUBKWPNSYSSTGA-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-tert-butyl-3-cyclohexyl-6-propan-2-ylphenol
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benzene;propan-2-ylcyclohexane
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[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]cyclohexane
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5-cyclohexyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
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11-propan-2-yl-11-azatricyclo[10.8.0.02,10]icosane
CID 138727381
5-chloro-5,5-dicyclohexyl-6-methyl-8,10-di(propan-2-yl)-10,10a-dihydro-6H-phosphanthridine;2-phenylaniline
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methane;propan-2-ylcyclotetradecane
CID 159882779
1-(5-cyclopentylthiophen-2-yl)ethanamine
CID 83831089
[4-propan-2-yl-3-(trifluoromethyl)phenyl]cyclononane
CID 146498942

Frequently Asked Questions

What is the IUPAC name of [3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexane?
The IUPAC name of [3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexane (CID 10955440) is [3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexane.
What is the SMILES notation for [3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexane?
The canonical SMILES for [3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexane is CC(C)C1=CC(C(C)C)C(C2CCCCC2)=C1.
What is the InChIKey of [3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexane?
The InChIKey is MUBKWPNSYSSTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-12(2)15-10-16(13(3)4)17(11-15)14-8-6-5-7-9-14/h10-14,16H,5-9H2,1-4H3.
What are the key properties of [3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexane?
[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexane has a molecular weight of 232.41 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexane is sourced from PubChem (CID 10955440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).