[3,4-di(propan-2-yl)cyclopenta-2,4-dien-1-ylidene]cyclohexane

C17H26 — CID 140616862

IUPAC[3,4-di(propan-2-yl)cyclopenta-2,4-dien-1-ylidene]cyclohexane
SMILESCC(C)C1=CC(=C2CCCCC2)C=C1C(C)C
InChIInChI=1S/C17H26/c1-12(2)16-10-15(11-17(16)13(3)4)14-8-6-5-7-9-14/h10-13H,5-9H2,1-4H3
InChIKeyXYXTXMIUTQUJAR-UHFFFAOYSA-N
MW230.40 g/mol
LogP5.43
Rot. Bonds2

About [3,4-di(propan-2-yl)cyclopenta-2,4-dien-1-ylidene]cyclohexane

[3,4-di(propan-2-yl)cyclopenta-2,4-dien-1-ylidene]cyclohexane (PubChem CID 140616862) has the molecular formula C17H26 and a molecular weight of 230.40 g/mol. Its IUPAC name is [3,4-di(propan-2-yl)cyclopenta-2,4-dien-1-ylidene]cyclohexane.

Molecular Properties

Compound Name[3,4-di(propan-2-yl)cyclopenta-2,4-dien-1-ylidene]cyclohexane
PubChem CID140616862
Molecular FormulaC17H26
Molecular Weight230.40 g/mol
Exact Mass230.20
IUPAC Name[3,4-di(propan-2-yl)cyclopenta-2,4-dien-1-ylidene]cyclohexane
SMILESCC(C)C1=CC(=C2CCCCC2)C=C1C(C)C
InChIInChI=1S/C17H26/c1-12(2)16-10-15(11-17(16)13(3)4)14-8-6-5-7-9-14/h10-13H,5-9H2,1-4H3
InChIKeyXYXTXMIUTQUJAR-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.40
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [3,4-di(propan-2-yl)cyclopenta-2,4-dien-1-ylidene]cyclohexane?
The IUPAC name of [3,4-di(propan-2-yl)cyclopenta-2,4-dien-1-ylidene]cyclohexane (CID 140616862) is [3,4-di(propan-2-yl)cyclopenta-2,4-dien-1-ylidene]cyclohexane.
What is the SMILES notation for [3,4-di(propan-2-yl)cyclopenta-2,4-dien-1-ylidene]cyclohexane?
The canonical SMILES for [3,4-di(propan-2-yl)cyclopenta-2,4-dien-1-ylidene]cyclohexane is CC(C)C1=CC(=C2CCCCC2)C=C1C(C)C.
What is the InChIKey of [3,4-di(propan-2-yl)cyclopenta-2,4-dien-1-ylidene]cyclohexane?
The InChIKey is XYXTXMIUTQUJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-12(2)16-10-15(11-17(16)13(3)4)14-8-6-5-7-9-14/h10-13H,5-9H2,1-4H3.
What are the key properties of [3,4-di(propan-2-yl)cyclopenta-2,4-dien-1-ylidene]cyclohexane?
[3,4-di(propan-2-yl)cyclopenta-2,4-dien-1-ylidene]cyclohexane has a molecular weight of 230.40 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-di(propan-2-yl)cyclopenta-2,4-dien-1-ylidene]cyclohexane is sourced from PubChem (CID 140616862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).