(3R)-2-(chloromethyl)-1-methyl-3-propan-2-ylcyclopentene

C10H17Cl — CID 11052123

IUPAC(3R)-2-(chloromethyl)-1-methyl-3-propan-2-ylcyclopentene
SMILESCC1=C(CCl)[C@@H](C(C)C)CC1
InChIInChI=1S/C10H17Cl/c1-7(2)9-5-4-8(3)10(9)6-11/h7,9H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyPJFQYBHIRBJFBW-SECBINFHSA-N
MW172.70 g/mol
LogP3.61
Rot. Bonds2

About (3R)-2-(chloromethyl)-1-methyl-3-propan-2-ylcyclopentene

(3R)-2-(chloromethyl)-1-methyl-3-propan-2-ylcyclopentene (PubChem CID 11052123) has the molecular formula C10H17Cl and a molecular weight of 172.70 g/mol. Its IUPAC name is (3R)-2-(chloromethyl)-1-methyl-3-propan-2-ylcyclopentene.

Molecular Properties

Compound Name(3R)-2-(chloromethyl)-1-methyl-3-propan-2-ylcyclopentene
PubChem CID11052123
Molecular FormulaC10H17Cl
Molecular Weight172.70 g/mol
Exact Mass172.10
IUPAC Name(3R)-2-(chloromethyl)-1-methyl-3-propan-2-ylcyclopentene
SMILESCC1=C(CCl)[C@@H](C(C)C)CC1
InChIInChI=1S/C10H17Cl/c1-7(2)9-5-4-8(3)10(9)6-11/h7,9H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyPJFQYBHIRBJFBW-SECBINFHSA-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 (3R)-2-(chloromethyl)-1-methyl-3-propan-2-ylcyclopentene?
The IUPAC name of (3R)-2-(chloromethyl)-1-methyl-3-propan-2-ylcyclopentene (CID 11052123) is (3R)-2-(chloromethyl)-1-methyl-3-propan-2-ylcyclopentene.
What is the SMILES notation for (3R)-2-(chloromethyl)-1-methyl-3-propan-2-ylcyclopentene?
The canonical SMILES for (3R)-2-(chloromethyl)-1-methyl-3-propan-2-ylcyclopentene is CC1=C(CCl)[C@@H](C(C)C)CC1.
What is the InChIKey of (3R)-2-(chloromethyl)-1-methyl-3-propan-2-ylcyclopentene?
The InChIKey is PJFQYBHIRBJFBW-SECBINFHSA-N. The full InChI is InChI=1S/C10H17Cl/c1-7(2)9-5-4-8(3)10(9)6-11/h7,9H,4-6H2,1-3H3/t9-/m1/s1.
What are the key properties of (3R)-2-(chloromethyl)-1-methyl-3-propan-2-ylcyclopentene?
(3R)-2-(chloromethyl)-1-methyl-3-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 (3R)-2-(chloromethyl)-1-methyl-3-propan-2-ylcyclopentene is sourced from PubChem (CID 11052123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).