1-butan-2-ylidene-3-methylcyclopentane

C10H18 — CID 123362109

IUPAC1-butan-2-ylidene-3-methylcyclopentane
SMILESCCC(C)=C1CCC(C)C1
InChIInChI=1S/C10H18/c1-4-9(3)10-6-5-8(2)7-10/h8H,4-7H2,1-3H3
InChIKeyQOKFLAKPVYCQFB-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.53
Rot. Bonds1

About 1-butan-2-ylidene-3-methylcyclopentane

1-butan-2-ylidene-3-methylcyclopentane (PubChem CID 123362109) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-butan-2-ylidene-3-methylcyclopentane.

Molecular Properties

Compound Name1-butan-2-ylidene-3-methylcyclopentane
PubChem CID123362109
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1-butan-2-ylidene-3-methylcyclopentane
SMILESCCC(C)=C1CCC(C)C1
InChIInChI=1S/C10H18/c1-4-9(3)10-6-5-8(2)7-10/h8H,4-7H2,1-3H3
InChIKeyQOKFLAKPVYCQFB-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-butan-2-ylidene-3-methylcyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-1-methyl-3-(3-methylpentan-2-ylidene)cyclopentane
CID 147603807
(1E)-1-[(4R)-4-methyl-2-methylidenecyclohexylidene]propan-1-ol
CID 163638137
1-butan-2-ylidene-4-[4-(2,2-difluoroethoxy)cyclohexyl]cyclohexane
CID 163752079
ethyl 2-(4-methylcyclohexylidene)propanoate
CID 11041686
ethyl (2E)-2-(3-methylcyclohexylidene)propanoate
CID 102005567
(3Z)-1-methyl-3-propylidenecyclopentane
CID 144536317
2-(4-methylcyclohexylidene)propanal
CID 23103336
4-butan-2-ylidenecyclohexan-1-one;ethene
CID 69152512
(2E)-2-(3-methylcyclohexylidene)propanoic acid
CID 11019257
N-[(3R)-3-methylcyclopentylidene]hydroxylamine
CID 140972581
2,5,6,7,8-pentamethyl-1,2,3,4-tetrahydronaphthalene
CID 22888683
(NE)-N-(3-methylcyclopentylidene)hydroxylamine
CID 12768212

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylidene-3-methylcyclopentane?
The IUPAC name of 1-butan-2-ylidene-3-methylcyclopentane (CID 123362109) is 1-butan-2-ylidene-3-methylcyclopentane.
What is the SMILES notation for 1-butan-2-ylidene-3-methylcyclopentane?
The canonical SMILES for 1-butan-2-ylidene-3-methylcyclopentane is CCC(C)=C1CCC(C)C1.
What is the InChIKey of 1-butan-2-ylidene-3-methylcyclopentane?
The InChIKey is QOKFLAKPVYCQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-9(3)10-6-5-8(2)7-10/h8H,4-7H2,1-3H3.
What are the key properties of 1-butan-2-ylidene-3-methylcyclopentane?
1-butan-2-ylidene-3-methylcyclopentane has a molecular weight of 138.25 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylidene-3-methylcyclopentane is sourced from PubChem (CID 123362109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).