2-chloro-1-(3-methyl-3-propan-2-ylcyclopentyl)propan-1-ol

C12H23ClO — CID 134220532

IUPAC2-chloro-1-(3-methyl-3-propan-2-ylcyclopentyl)propan-1-ol
SMILESCC(Cl)C(O)C1CCC(C)(C(C)C)C1
InChIInChI=1S/C12H23ClO/c1-8(2)12(4)6-5-10(7-12)11(14)9(3)13/h8-11,14H,5-7H2,1-4H3
InChIKeyIFBGSQRDIDOAPI-UHFFFAOYSA-N
MW218.77 g/mol
LogP3.44
Rot. Bonds3

About 2-chloro-1-(3-methyl-3-propan-2-ylcyclopentyl)propan-1-ol

2-chloro-1-(3-methyl-3-propan-2-ylcyclopentyl)propan-1-ol (PubChem CID 134220532) has the molecular formula C12H23ClO and a molecular weight of 218.77 g/mol. Its IUPAC name is 2-chloro-1-(3-methyl-3-propan-2-ylcyclopentyl)propan-1-ol.

Molecular Properties

Compound Name2-chloro-1-(3-methyl-3-propan-2-ylcyclopentyl)propan-1-ol
PubChem CID134220532
Molecular FormulaC12H23ClO
Molecular Weight218.77 g/mol
Exact Mass218.14
IUPAC Name2-chloro-1-(3-methyl-3-propan-2-ylcyclopentyl)propan-1-ol
SMILESCC(Cl)C(O)C1CCC(C)(C(C)C)C1
InChIInChI=1S/C12H23ClO/c1-8(2)12(4)6-5-10(7-12)11(14)9(3)13/h8-11,14H,5-7H2,1-4H3
InChIKeyIFBGSQRDIDOAPI-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3-methyl-3-propan-2-ylcyclopentyl)propan-1-ol?
The IUPAC name of 2-chloro-1-(3-methyl-3-propan-2-ylcyclopentyl)propan-1-ol (CID 134220532) is 2-chloro-1-(3-methyl-3-propan-2-ylcyclopentyl)propan-1-ol.
What is the SMILES notation for 2-chloro-1-(3-methyl-3-propan-2-ylcyclopentyl)propan-1-ol?
The canonical SMILES for 2-chloro-1-(3-methyl-3-propan-2-ylcyclopentyl)propan-1-ol is CC(Cl)C(O)C1CCC(C)(C(C)C)C1.
What is the InChIKey of 2-chloro-1-(3-methyl-3-propan-2-ylcyclopentyl)propan-1-ol?
The InChIKey is IFBGSQRDIDOAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClO/c1-8(2)12(4)6-5-10(7-12)11(14)9(3)13/h8-11,14H,5-7H2,1-4H3.
What are the key properties of 2-chloro-1-(3-methyl-3-propan-2-ylcyclopentyl)propan-1-ol?
2-chloro-1-(3-methyl-3-propan-2-ylcyclopentyl)propan-1-ol has a molecular weight of 218.77 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3-methyl-3-propan-2-ylcyclopentyl)propan-1-ol is sourced from PubChem (CID 134220532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).