4-methyl-1-methylidene-2-pent-1-en-3-ylcyclopentane

C12H20 — CID 163877096

IUPAC4-methyl-1-methylidene-2-pent-1-en-3-ylcyclopentane
SMILESC=CC(CC)C1CC(C)CC1=C
InChIInChI=1S/C12H20/c1-5-11(6-2)12-8-9(3)7-10(12)4/h5,9,11-12H,1,4,6-8H2,2-3H3
InChIKeyPPVHQBKAQBWWJL-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.80
Rot. Bonds3

About 4-methyl-1-methylidene-2-pent-1-en-3-ylcyclopentane

4-methyl-1-methylidene-2-pent-1-en-3-ylcyclopentane (PubChem CID 163877096) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 4-methyl-1-methylidene-2-pent-1-en-3-ylcyclopentane.

Molecular Properties

Compound Name4-methyl-1-methylidene-2-pent-1-en-3-ylcyclopentane
PubChem CID163877096
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name4-methyl-1-methylidene-2-pent-1-en-3-ylcyclopentane
SMILESC=CC(CC)C1CC(C)CC1=C
InChIInChI=1S/C12H20/c1-5-11(6-2)12-8-9(3)7-10(12)4/h5,9,11-12H,1,4,6-8H2,2-3H3
InChIKeyPPVHQBKAQBWWJL-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.80
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 4-methyl-1-methylidene-2-pent-1-en-3-ylcyclopentane?
The IUPAC name of 4-methyl-1-methylidene-2-pent-1-en-3-ylcyclopentane (CID 163877096) is 4-methyl-1-methylidene-2-pent-1-en-3-ylcyclopentane.
What is the SMILES notation for 4-methyl-1-methylidene-2-pent-1-en-3-ylcyclopentane?
The canonical SMILES for 4-methyl-1-methylidene-2-pent-1-en-3-ylcyclopentane is C=CC(CC)C1CC(C)CC1=C.
What is the InChIKey of 4-methyl-1-methylidene-2-pent-1-en-3-ylcyclopentane?
The InChIKey is PPVHQBKAQBWWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-5-11(6-2)12-8-9(3)7-10(12)4/h5,9,11-12H,1,4,6-8H2,2-3H3.
What are the key properties of 4-methyl-1-methylidene-2-pent-1-en-3-ylcyclopentane?
4-methyl-1-methylidene-2-pent-1-en-3-ylcyclopentane has a molecular weight of 164.29 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-methylidene-2-pent-1-en-3-ylcyclopentane is sourced from PubChem (CID 163877096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).