hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol

C10H21ClO2 — CID 174568794

IUPAChypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)C1.OCl
InChIInChI=1S/C10H20O.ClHO/c1-7(2)9-5-4-8(3)6-10(9)11;1-2/h7-11H,4-6H2,1-3H3;2H
InChIKeyVZSYGHCEYLAQCN-UHFFFAOYSA-N
MW208.73 g/mol
LogP2.57
Rot. Bonds1

About hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol

hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 174568794) has the molecular formula C10H21ClO2 and a molecular weight of 208.73 g/mol. Its IUPAC name is hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Namehypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID174568794
Molecular FormulaC10H21ClO2
Molecular Weight208.73 g/mol
Exact Mass208.12
IUPAC Namehypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)C1.OCl
InChIInChI=1S/C10H20O.ClHO/c1-7(2)9-5-4-8(3)6-10(9)11;1-2/h7-11H,4-6H2,1-3H3;2H
InChIKeyVZSYGHCEYLAQCN-UHFFFAOYSA-N
XLogP2.57
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 66630118
CID 66630118
(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexan-1-ol
CID 15605903
(1R,3R,4S)-4-propan-2-ylcyclohexane-1,3-diol
CID 130918219
1,3-dioxolan-2-one;5-methyl-2-propan-2-ylcyclohexan-1-ol;prop-1-ene
CID 134346107
dodecanoic acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 122703177
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
cis-(1R,2R)-2-propan-2-ylcyclobutan-1-ol
CID 153486186
(1R)-4-methylcyclohexane-1,2-diol
CID 89138285
trans-(1R,5R)-5-amino-2-propan-2-ylcyclohexan-1-ol
CID 130207945
(2E)-3,7-dimethylocta-2,6-dienal;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 87439428
methyl 2-hydroxybenzoate;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 67919748
2-hydroxypropanoic acid;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate;hydroxide
CID 159704935

Frequently Asked Questions

What is the IUPAC name of hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 174568794) is hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol is CC1CCC(C(C)C)C(O)C1.OCl.
What is the InChIKey of hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is VZSYGHCEYLAQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.ClHO/c1-7(2)9-5-4-8(3)6-10(9)11;1-2/h7-11H,4-6H2,1-3H3;2H.
What are the key properties of hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol?
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 208.73 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 174568794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).