3-bromo-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol

C10H17BrO — CID 175178027

IUPAC3-bromo-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)C1CCC(C)(O)CC1Br
InChIInChI=1S/C10H17BrO/c1-7(2)8-4-5-10(3,12)6-9(8)11/h8-9,12H,1,4-6H2,2-3H3
InChIKeyYEDFHZYEQBJUGB-UHFFFAOYSA-N
MW233.15 g/mol
LogP2.88
Rot. Bonds1

About 3-bromo-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol

3-bromo-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 175178027) has the molecular formula C10H17BrO and a molecular weight of 233.15 g/mol. Its IUPAC name is 3-bromo-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name3-bromo-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID175178027
Molecular FormulaC10H17BrO
Molecular Weight233.15 g/mol
Exact Mass232.05
IUPAC Name3-bromo-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)C1CCC(C)(O)CC1Br
InChIInChI=1S/C10H17BrO/c1-7(2)8-4-5-10(3,12)6-9(8)11/h8-9,12H,1,4-6H2,2-3H3
InChIKeyYEDFHZYEQBJUGB-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 52.88
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

cis-(1R,3R)-1-methyl-3-prop-1-en-2-ylcyclohexan-1-ol
CID 162915511
5-hexadeca-1,3,5,7,9,11,13,15-octaynyl-2-(5-hydroxy-5-methyl-2-prop-1-en-2-ylcyclohexyl)benzene-1,3-diol
CID 177084617
(1R,4R)-4-prop-1-en-2-yl-6-oxabicyclo[3.1.1]heptan-1-amine
CID 146204588
4-hydroxy-2,4-dimethylcyclohexane-1-carboxamide
CID 144739612
trans-(1R,5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde
CID 131160822
3-hydroxy-2-(5-hydroxy-5-methyl-2-prop-1-en-2-ylcyclohexyl)-5-pentylcyclohexa-2,5-diene-1,4-dione
CID 172510918
(1S,4R,4aS,8aR)-1,6-dimethyl-4-prop-1-en-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 163063171
cis-(3S,4R)-3,4-diamino-1-methylcyclohexan-1-ol
CID 55285612
3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 155663554
(1R,3S,6S)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 171591004
2-[(1R,2R)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl]propanedinitrile
CID 102411236
(1S,2S,4aR,8R,8aS)-4a,8-dimethyl-2-prop-1-en-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,8-diol
CID 12978159

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of 3-bromo-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol (CID 175178027) is 3-bromo-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for 3-bromo-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for 3-bromo-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)C1CCC(C)(O)CC1Br.
What is the InChIKey of 3-bromo-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is YEDFHZYEQBJUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrO/c1-7(2)8-4-5-10(3,12)6-9(8)11/h8-9,12H,1,4-6H2,2-3H3.
What are the key properties of 3-bromo-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol?
3-bromo-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 233.15 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 175178027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).