3-(2,4-dimethylpentan-3-ylidene)cyclohexene

C13H22 — CID 140596256

IUPAC3-(2,4-dimethylpentan-3-ylidene)cyclohexene
SMILESCC(C)C(=C1C=CCCC1)C(C)C
InChIInChI=1S/C13H22/c1-10(2)13(11(3)4)12-8-6-5-7-9-12/h6,8,10-11H,5,7,9H2,1-4H3
InChIKeyNLMYYDLNLMCWGX-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.34
Rot. Bonds2

About 3-(2,4-dimethylpentan-3-ylidene)cyclohexene

3-(2,4-dimethylpentan-3-ylidene)cyclohexene (PubChem CID 140596256) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 3-(2,4-dimethylpentan-3-ylidene)cyclohexene.

Molecular Properties

Compound Name3-(2,4-dimethylpentan-3-ylidene)cyclohexene
PubChem CID140596256
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name3-(2,4-dimethylpentan-3-ylidene)cyclohexene
SMILESCC(C)C(=C1C=CCCC1)C(C)C
InChIInChI=1S/C13H22/c1-10(2)13(11(3)4)12-8-6-5-7-9-12/h6,8,10-11H,5,7,9H2,1-4H3
InChIKeyNLMYYDLNLMCWGX-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpentan-3-ylidene)cyclohexene?
The IUPAC name of 3-(2,4-dimethylpentan-3-ylidene)cyclohexene (CID 140596256) is 3-(2,4-dimethylpentan-3-ylidene)cyclohexene.
What is the SMILES notation for 3-(2,4-dimethylpentan-3-ylidene)cyclohexene?
The canonical SMILES for 3-(2,4-dimethylpentan-3-ylidene)cyclohexene is CC(C)C(=C1C=CCCC1)C(C)C.
What is the InChIKey of 3-(2,4-dimethylpentan-3-ylidene)cyclohexene?
The InChIKey is NLMYYDLNLMCWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-10(2)13(11(3)4)12-8-6-5-7-9-12/h6,8,10-11H,5,7,9H2,1-4H3.
What are the key properties of 3-(2,4-dimethylpentan-3-ylidene)cyclohexene?
3-(2,4-dimethylpentan-3-ylidene)cyclohexene has a molecular weight of 178.32 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpentan-3-ylidene)cyclohexene is sourced from PubChem (CID 140596256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).