chloro-(1-methylcyclobutyl)methanol

C6H11ClO — CID 146531117

IUPACchloro-(1-methylcyclobutyl)methanol
SMILESCC1(C(O)Cl)CCC1
InChIInChI=1S/C6H11ClO/c1-6(5(7)8)3-2-4-6/h5,8H,2-4H2,1H3
InChIKeyPOHAYXCWAQSBLP-UHFFFAOYSA-N
MW134.61 g/mol
LogP1.73
Rot. Bonds1

About chloro-(1-methylcyclobutyl)methanol

chloro-(1-methylcyclobutyl)methanol (PubChem CID 146531117) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is chloro-(1-methylcyclobutyl)methanol.

Molecular Properties

Compound Namechloro-(1-methylcyclobutyl)methanol
PubChem CID146531117
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Namechloro-(1-methylcyclobutyl)methanol
SMILESCC1(C(O)Cl)CCC1
InChIInChI=1S/C6H11ClO/c1-6(5(7)8)3-2-4-6/h5,8H,2-4H2,1H3
InChIKeyPOHAYXCWAQSBLP-UHFFFAOYSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 51.73
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 chloro-(1-methylcyclobutyl)methanol?
The IUPAC name of chloro-(1-methylcyclobutyl)methanol (CID 146531117) is chloro-(1-methylcyclobutyl)methanol.
What is the SMILES notation for chloro-(1-methylcyclobutyl)methanol?
The canonical SMILES for chloro-(1-methylcyclobutyl)methanol is CC1(C(O)Cl)CCC1.
What is the InChIKey of chloro-(1-methylcyclobutyl)methanol?
The InChIKey is POHAYXCWAQSBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO/c1-6(5(7)8)3-2-4-6/h5,8H,2-4H2,1H3.
What are the key properties of chloro-(1-methylcyclobutyl)methanol?
chloro-(1-methylcyclobutyl)methanol has a molecular weight of 134.61 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(1-methylcyclobutyl)methanol is sourced from PubChem (CID 146531117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).