6-chloro-2-methylhexan-1-ol

C7H15ClO — CID 139625649

IUPAC6-chloro-2-methylhexan-1-ol
SMILESCC(CO)CCCCCl
InChIInChI=1S/C7H15ClO/c1-7(6-9)4-2-3-5-8/h7,9H,2-6H2,1H3
InChIKeyPQDKXNFUXKAXDW-UHFFFAOYSA-N
MW150.65 g/mol
LogP2.02
Rot. Bonds5

About 6-chloro-2-methylhexan-1-ol

6-chloro-2-methylhexan-1-ol (PubChem CID 139625649) has the molecular formula C7H15ClO and a molecular weight of 150.65 g/mol. Its IUPAC name is 6-chloro-2-methylhexan-1-ol.

Molecular Properties

Compound Name6-chloro-2-methylhexan-1-ol
PubChem CID139625649
Molecular FormulaC7H15ClO
Molecular Weight150.65 g/mol
Exact Mass150.08
IUPAC Name6-chloro-2-methylhexan-1-ol
SMILESCC(CO)CCCCCl
InChIInChI=1S/C7H15ClO/c1-7(6-9)4-2-3-5-8/h7,9H,2-6H2,1H3
InChIKeyPQDKXNFUXKAXDW-UHFFFAOYSA-N
XLogP2.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.65
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methylhexan-1-ol?
The IUPAC name of 6-chloro-2-methylhexan-1-ol (CID 139625649) is 6-chloro-2-methylhexan-1-ol.
What is the SMILES notation for 6-chloro-2-methylhexan-1-ol?
The canonical SMILES for 6-chloro-2-methylhexan-1-ol is CC(CO)CCCCCl.
What is the InChIKey of 6-chloro-2-methylhexan-1-ol?
The InChIKey is PQDKXNFUXKAXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO/c1-7(6-9)4-2-3-5-8/h7,9H,2-6H2,1H3.
What are the key properties of 6-chloro-2-methylhexan-1-ol?
6-chloro-2-methylhexan-1-ol has a molecular weight of 150.65 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylhexan-1-ol is sourced from PubChem (CID 139625649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).