1-but-3-enyl-3-chloro-1-methylcyclopentane

C10H17Cl — CID 116540428

IUPAC1-but-3-enyl-3-chloro-1-methylcyclopentane
SMILESC=CCCC1(C)CCC(Cl)C1
InChIInChI=1S/C10H17Cl/c1-3-4-6-10(2)7-5-9(11)8-10/h3,9H,1,4-8H2,2H3
InChIKeyRHUATJHNCNKRMY-UHFFFAOYSA-N
MW172.70 g/mol
LogP3.75
Rot. Bonds3

About 1-but-3-enyl-3-chloro-1-methylcyclopentane

1-but-3-enyl-3-chloro-1-methylcyclopentane (PubChem CID 116540428) has the molecular formula C10H17Cl and a molecular weight of 172.70 g/mol. Its IUPAC name is 1-but-3-enyl-3-chloro-1-methylcyclopentane.

Molecular Properties

Compound Name1-but-3-enyl-3-chloro-1-methylcyclopentane
PubChem CID116540428
Molecular FormulaC10H17Cl
Molecular Weight172.70 g/mol
Exact Mass172.10
IUPAC Name1-but-3-enyl-3-chloro-1-methylcyclopentane
SMILESC=CCCC1(C)CCC(Cl)C1
InChIInChI=1S/C10H17Cl/c1-3-4-6-10(2)7-5-9(11)8-10/h3,9H,1,4-8H2,2H3
InChIKeyRHUATJHNCNKRMY-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.70
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-hept-6-enyl-1-methylcyclopentane
CID 107010557
3-bromo-1-but-3-enyl-1-methylcyclopentane
CID 116540764
3-but-3-enyl-3-methylcyclopentan-1-amine
CID 116538762
2-[(3-chloro-1-methylcyclopentyl)methyl]-1,3-dimethylbenzene
CID 116540374
3-but-3-enyl-1-tert-butyl-3-methylpyrrolidine
CID 175530894
trans-(1R,2R)-1-methyl-2-pent-4-enylcyclopropan-1-ol
CID 68751280
3-methyl-3-propylbicyclo[4.2.0]octane
CID 148753251
1-but-3-enyl-4,4-dimethylcycloheptan-1-ol
CID 130913852
1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone
CID 102051003
1-but-3-enyl-3-ethylcyclohexane-1-carboxylic acid
CID 79428476
3-(1,4-dimethylcyclohexyl)propanal
CID 167495572
2-but-3-enyl-2-methyl-1,3-dioxolane
CID 11768681

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-3-chloro-1-methylcyclopentane?
The IUPAC name of 1-but-3-enyl-3-chloro-1-methylcyclopentane (CID 116540428) is 1-but-3-enyl-3-chloro-1-methylcyclopentane.
What is the SMILES notation for 1-but-3-enyl-3-chloro-1-methylcyclopentane?
The canonical SMILES for 1-but-3-enyl-3-chloro-1-methylcyclopentane is C=CCCC1(C)CCC(Cl)C1.
What is the InChIKey of 1-but-3-enyl-3-chloro-1-methylcyclopentane?
The InChIKey is RHUATJHNCNKRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl/c1-3-4-6-10(2)7-5-9(11)8-10/h3,9H,1,4-8H2,2H3.
What are the key properties of 1-but-3-enyl-3-chloro-1-methylcyclopentane?
1-but-3-enyl-3-chloro-1-methylcyclopentane has a molecular weight of 172.70 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-3-chloro-1-methylcyclopentane is sourced from PubChem (CID 116540428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).