2,3-dichloroheptan-2-ol

C7H14Cl2O — CID 150485073

IUPAC2,3-dichloroheptan-2-ol
SMILESCCCCC(Cl)C(C)(O)Cl
InChIInChI=1S/C7H14Cl2O/c1-3-4-5-6(8)7(2,9)10/h6,10H,3-5H2,1-2H3
InChIKeyHUPWQZZYLFOGIV-UHFFFAOYSA-N
MW185.09 g/mol
LogP2.73
Rot. Bonds4

About 2,3-dichloroheptan-2-ol

2,3-dichloroheptan-2-ol (PubChem CID 150485073) has the molecular formula C7H14Cl2O and a molecular weight of 185.09 g/mol. Its IUPAC name is 2,3-dichloroheptan-2-ol.

Molecular Properties

Compound Name2,3-dichloroheptan-2-ol
PubChem CID150485073
Molecular FormulaC7H14Cl2O
Molecular Weight185.09 g/mol
Exact Mass184.04
IUPAC Name2,3-dichloroheptan-2-ol
SMILESCCCCC(Cl)C(C)(O)Cl
InChIInChI=1S/C7H14Cl2O/c1-3-4-5-6(8)7(2,9)10/h6,10H,3-5H2,1-2H3
InChIKeyHUPWQZZYLFOGIV-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.09
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3-trichloroheptane-1,1,1-triol
CID 118276338
3-chloro-2,2-dimethylhexadecane
CID 63461295
1,1,2-trichlorooctan-1-amine
CID 122585426
2-chloro-3-ethyl-2-methylheptane
CID 141208623
2,2,3,3,4,4,5-heptachlorodecan-1-ol
CID 141280857
1,1,1,2,2,3-hexabromo-3,4-dichlorododecane
CID 88623568
1,1-dichloropentane;gallane
CID 174452216
(2S)-2-butyl-3-methylbutane-1,3-diol
CID 139881591
2,2,3,3,4-pentachlorooctadecanoic acid
CID 54294566
2-chloro-2-methylhexan-3-ol
CID 130124789
1,1-dichlorohexan-2-ol
CID 11019309
3,4-dichloro-3-ethenyldodec-1-ene
CID 150880814

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloroheptan-2-ol?
The IUPAC name of 2,3-dichloroheptan-2-ol (CID 150485073) is 2,3-dichloroheptan-2-ol.
What is the SMILES notation for 2,3-dichloroheptan-2-ol?
The canonical SMILES for 2,3-dichloroheptan-2-ol is CCCCC(Cl)C(C)(O)Cl.
What is the InChIKey of 2,3-dichloroheptan-2-ol?
The InChIKey is HUPWQZZYLFOGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Cl2O/c1-3-4-5-6(8)7(2,9)10/h6,10H,3-5H2,1-2H3.
What are the key properties of 2,3-dichloroheptan-2-ol?
2,3-dichloroheptan-2-ol has a molecular weight of 185.09 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloroheptan-2-ol is sourced from PubChem (CID 150485073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).