4-(chloromethyl)-4-methyl-1-propan-2-ylcyclopentene

C10H17Cl — CID 137390710

IUPAC4-(chloromethyl)-4-methyl-1-propan-2-ylcyclopentene
SMILESCC(C)C1=CCC(C)(CCl)C1
InChIInChI=1S/C10H17Cl/c1-8(2)9-4-5-10(3,6-9)7-11/h4,8H,5-7H2,1-3H3
InChIKeyCIRVFGJHTDCHLU-UHFFFAOYSA-N
MW172.70 g/mol
LogP3.61
Rot. Bonds2

About 4-(chloromethyl)-4-methyl-1-propan-2-ylcyclopentene

4-(chloromethyl)-4-methyl-1-propan-2-ylcyclopentene (PubChem CID 137390710) has the molecular formula C10H17Cl and a molecular weight of 172.70 g/mol. Its IUPAC name is 4-(chloromethyl)-4-methyl-1-propan-2-ylcyclopentene.

Molecular Properties

Compound Name4-(chloromethyl)-4-methyl-1-propan-2-ylcyclopentene
PubChem CID137390710
Molecular FormulaC10H17Cl
Molecular Weight172.70 g/mol
Exact Mass172.10
IUPAC Name4-(chloromethyl)-4-methyl-1-propan-2-ylcyclopentene
SMILESCC(C)C1=CCC(C)(CCl)C1
InChIInChI=1S/C10H17Cl/c1-8(2)9-4-5-10(3,6-9)7-11/h4,8H,5-7H2,1-3H3
InChIKeyCIRVFGJHTDCHLU-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.70
LogP ≤ 53.61
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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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-4-methyl-1-propan-2-ylcyclopentene?
The IUPAC name of 4-(chloromethyl)-4-methyl-1-propan-2-ylcyclopentene (CID 137390710) is 4-(chloromethyl)-4-methyl-1-propan-2-ylcyclopentene.
What is the SMILES notation for 4-(chloromethyl)-4-methyl-1-propan-2-ylcyclopentene?
The canonical SMILES for 4-(chloromethyl)-4-methyl-1-propan-2-ylcyclopentene is CC(C)C1=CCC(C)(CCl)C1.
What is the InChIKey of 4-(chloromethyl)-4-methyl-1-propan-2-ylcyclopentene?
The InChIKey is CIRVFGJHTDCHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl/c1-8(2)9-4-5-10(3,6-9)7-11/h4,8H,5-7H2,1-3H3.
What are the key properties of 4-(chloromethyl)-4-methyl-1-propan-2-ylcyclopentene?
4-(chloromethyl)-4-methyl-1-propan-2-ylcyclopentene has a molecular weight of 172.70 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-4-methyl-1-propan-2-ylcyclopentene is sourced from PubChem (CID 137390710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).