1-methyl-1-prop-1-en-2-ylcyclopentane

C9H16 — CID 14685112

IUPAC1-methyl-1-prop-1-en-2-ylcyclopentane
SMILESC=C(C)C1(C)CCCC1
InChIInChI=1S/C9H16/c1-8(2)9(3)6-4-5-7-9/h1,4-7H2,2-3H3
InChIKeyRJOJEAURMVEWGZ-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds1

About 1-methyl-1-prop-1-en-2-ylcyclopentane

1-methyl-1-prop-1-en-2-ylcyclopentane (PubChem CID 14685112) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1-methyl-1-prop-1-en-2-ylcyclopentane.

Molecular Properties

Compound Name1-methyl-1-prop-1-en-2-ylcyclopentane
PubChem CID14685112
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1-methyl-1-prop-1-en-2-ylcyclopentane
SMILESC=C(C)C1(C)CCCC1
InChIInChI=1S/C9H16/c1-8(2)9(3)6-4-5-7-9/h1,4-7H2,2-3H3
InChIKeyRJOJEAURMVEWGZ-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.14
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 1-methyl-1-prop-1-en-2-ylcyclopentane?
The IUPAC name of 1-methyl-1-prop-1-en-2-ylcyclopentane (CID 14685112) is 1-methyl-1-prop-1-en-2-ylcyclopentane.
What is the SMILES notation for 1-methyl-1-prop-1-en-2-ylcyclopentane?
The canonical SMILES for 1-methyl-1-prop-1-en-2-ylcyclopentane is C=C(C)C1(C)CCCC1.
What is the InChIKey of 1-methyl-1-prop-1-en-2-ylcyclopentane?
The InChIKey is RJOJEAURMVEWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-8(2)9(3)6-4-5-7-9/h1,4-7H2,2-3H3.
What are the key properties of 1-methyl-1-prop-1-en-2-ylcyclopentane?
1-methyl-1-prop-1-en-2-ylcyclopentane has a molecular weight of 124.23 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-prop-1-en-2-ylcyclopentane is sourced from PubChem (CID 14685112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).