2-chloro-2,5-dimethylhex-5-en-3-ol

C8H15ClO — CID 18920966

IUPAC2-chloro-2,5-dimethylhex-5-en-3-ol
SMILESC=C(C)CC(O)C(C)(C)Cl
InChIInChI=1S/C8H15ClO/c1-6(2)5-7(10)8(3,4)9/h7,10H,1,5H2,2-4H3
InChIKeySSGRYRGPIUSTDO-UHFFFAOYSA-N
MW162.66 g/mol
LogP2.33
Rot. Bonds3

About 2-chloro-2,5-dimethylhex-5-en-3-ol

2-chloro-2,5-dimethylhex-5-en-3-ol (PubChem CID 18920966) has the molecular formula C8H15ClO and a molecular weight of 162.66 g/mol. Its IUPAC name is 2-chloro-2,5-dimethylhex-5-en-3-ol.

Molecular Properties

Compound Name2-chloro-2,5-dimethylhex-5-en-3-ol
PubChem CID18920966
Molecular FormulaC8H15ClO
Molecular Weight162.66 g/mol
Exact Mass162.08
IUPAC Name2-chloro-2,5-dimethylhex-5-en-3-ol
SMILESC=C(C)CC(O)C(C)(C)Cl
InChIInChI=1S/C8H15ClO/c1-6(2)5-7(10)8(3,4)9/h7,10H,1,5H2,2-4H3
InChIKeySSGRYRGPIUSTDO-UHFFFAOYSA-N
XLogP2.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1,2-dibromo-2,5-dimethylhex-5-en-3-ol
CID 18921014
2-chloro-2-methylhexan-3-ol
CID 130124789
5-(diethylamino)-5-ethyl-2-methylhept-1-en-4-ol
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2,6,7,7-tetramethyloct-1-en-4-ol
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2,6,6-trimethyl-4-prop-1-en-2-ylhept-1-ene
CID 90710749
1-fluoro-4-methylpent-4-en-2-ol
CID 141111870
[(2R)-1,1,1-trichloro-4-methylpent-4-en-2-yl] acetate
CID 15607263
2,5-dichloro-2,5-dimethylhexane;2,5-dimethylhexa-1,5-diene
CID 88686201
2,4-dimethylpent-1-ene;ethane
CID 143336990

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,5-dimethylhex-5-en-3-ol?
The IUPAC name of 2-chloro-2,5-dimethylhex-5-en-3-ol (CID 18920966) is 2-chloro-2,5-dimethylhex-5-en-3-ol.
What is the SMILES notation for 2-chloro-2,5-dimethylhex-5-en-3-ol?
The canonical SMILES for 2-chloro-2,5-dimethylhex-5-en-3-ol is C=C(C)CC(O)C(C)(C)Cl.
What is the InChIKey of 2-chloro-2,5-dimethylhex-5-en-3-ol?
The InChIKey is SSGRYRGPIUSTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO/c1-6(2)5-7(10)8(3,4)9/h7,10H,1,5H2,2-4H3.
What are the key properties of 2-chloro-2,5-dimethylhex-5-en-3-ol?
2-chloro-2,5-dimethylhex-5-en-3-ol has a molecular weight of 162.66 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,5-dimethylhex-5-en-3-ol is sourced from PubChem (CID 18920966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).