2-methylidene-1,3-di(propan-2-yl)cyclopentane

C12H22 — CID 58567630

IUPAC2-methylidene-1,3-di(propan-2-yl)cyclopentane
SMILESC=C1C(C(C)C)CCC1C(C)C
InChIInChI=1S/C12H22/c1-8(2)11-6-7-12(9(3)4)10(11)5/h8-9,11-12H,5-7H2,1-4H3
InChIKeyJEEYHDLUKORVRS-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.88
Rot. Bonds2

About 2-methylidene-1,3-di(propan-2-yl)cyclopentane

2-methylidene-1,3-di(propan-2-yl)cyclopentane (PubChem CID 58567630) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2-methylidene-1,3-di(propan-2-yl)cyclopentane.

Molecular Properties

Compound Name2-methylidene-1,3-di(propan-2-yl)cyclopentane
PubChem CID58567630
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name2-methylidene-1,3-di(propan-2-yl)cyclopentane
SMILESC=C1C(C(C)C)CCC1C(C)C
InChIInChI=1S/C12H22/c1-8(2)11-6-7-12(9(3)4)10(11)5/h8-9,11-12H,5-7H2,1-4H3
InChIKeyJEEYHDLUKORVRS-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.88
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 2-methylidene-1,3-di(propan-2-yl)cyclopentane?
The IUPAC name of 2-methylidene-1,3-di(propan-2-yl)cyclopentane (CID 58567630) is 2-methylidene-1,3-di(propan-2-yl)cyclopentane.
What is the SMILES notation for 2-methylidene-1,3-di(propan-2-yl)cyclopentane?
The canonical SMILES for 2-methylidene-1,3-di(propan-2-yl)cyclopentane is C=C1C(C(C)C)CCC1C(C)C.
What is the InChIKey of 2-methylidene-1,3-di(propan-2-yl)cyclopentane?
The InChIKey is JEEYHDLUKORVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-8(2)11-6-7-12(9(3)4)10(11)5/h8-9,11-12H,5-7H2,1-4H3.
What are the key properties of 2-methylidene-1,3-di(propan-2-yl)cyclopentane?
2-methylidene-1,3-di(propan-2-yl)cyclopentane has a molecular weight of 166.31 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1,3-di(propan-2-yl)cyclopentane is sourced from PubChem (CID 58567630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).