5-chloro-4,4-dimethylpentan-1-ol

C7H15ClO — CID 139625740

IUPAC5-chloro-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCl)CCCO
InChIInChI=1S/C7H15ClO/c1-7(2,6-8)4-3-5-9/h9H,3-6H2,1-2H3
InChIKeyMDHIZHUOAXXOBK-UHFFFAOYSA-N
MW150.65 g/mol
LogP2.02
Rot. Bonds4

About 5-chloro-4,4-dimethylpentan-1-ol

5-chloro-4,4-dimethylpentan-1-ol (PubChem CID 139625740) has the molecular formula C7H15ClO and a molecular weight of 150.65 g/mol. Its IUPAC name is 5-chloro-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-chloro-4,4-dimethylpentan-1-ol
PubChem CID139625740
Molecular FormulaC7H15ClO
Molecular Weight150.65 g/mol
Exact Mass150.08
IUPAC Name5-chloro-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCl)CCCO
InChIInChI=1S/C7H15ClO/c1-7(2,6-8)4-3-5-9/h9H,3-6H2,1-2H3
InChIKeyMDHIZHUOAXXOBK-UHFFFAOYSA-N
XLogP2.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[1-(Chloromethyl)cyclobutyl]methanol
CID 55303019
(2R)-2-chloro-3,3-dimethylbutan-1-ol
CID 87850268
6-Chloro-2-methylhexan-1-ol
CID 139625649
4-Chloro-4-methyl-1-pentanol
CID 12545373
3-Chloro-5,5,5-trifluoro-2,2-dimethylpentan-1-ol
CID 20348460
(2S)-2-chloro-4-methylpentan-1-ol
CID 641050
2-Chloro-4-methylpentan-1-ol
CID 13050114
2,2-Bis(chloromethyl)butan-1-ol
CID 11019308
1,3-Propanediol, 2-(chloromethyl)-2-ethyl-
CID 11030025
5-Chloro-3-methylpentan-1-ol
CID 13192444
(3R)-5-chloro-3-methylpentan-1-ol
CID 13192445
5-Chloro-4-methylpentan-1-ol
CID 14203779

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-chloro-4,4-dimethylpentan-1-ol (CID 139625740) is 5-chloro-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-chloro-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-chloro-4,4-dimethylpentan-1-ol is CC(C)(CCl)CCCO.
What is the InChIKey of 5-chloro-4,4-dimethylpentan-1-ol?
The InChIKey is MDHIZHUOAXXOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO/c1-7(2,6-8)4-3-5-9/h9H,3-6H2,1-2H3.
What are the key properties of 5-chloro-4,4-dimethylpentan-1-ol?
5-chloro-4,4-dimethylpentan-1-ol has a molecular weight of 150.65 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 139625740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).