(1S)-7-bromo-1-cyclohexylheptan-1-ol

C13H25BrO — CID 10588552

IUPAC(1S)-7-bromo-1-cyclohexylheptan-1-ol
SMILESO[C@@H](CCCCCCBr)C1CCCCC1
InChIInChI=1S/C13H25BrO/c14-11-7-2-1-6-10-13(15)12-8-4-3-5-9-12/h12-13,15H,1-11H2/t13-/m0/s1
InChIKeyVHGUBOYVKGROFL-ZDUSSCGKSA-N
MW277.25 g/mol
LogP4.27
Rot. Bonds7

About (1S)-7-bromo-1-cyclohexylheptan-1-ol

(1S)-7-bromo-1-cyclohexylheptan-1-ol (PubChem CID 10588552) has the molecular formula C13H25BrO and a molecular weight of 277.25 g/mol. Its IUPAC name is (1S)-7-bromo-1-cyclohexylheptan-1-ol.

Molecular Properties

Compound Name(1S)-7-bromo-1-cyclohexylheptan-1-ol
PubChem CID10588552
Molecular FormulaC13H25BrO
Molecular Weight277.25 g/mol
Exact Mass276.11
IUPAC Name(1S)-7-bromo-1-cyclohexylheptan-1-ol
SMILESO[C@@H](CCCCCCBr)C1CCCCC1
InChIInChI=1S/C13H25BrO/c14-11-7-2-1-6-10-13(15)12-8-4-3-5-9-12/h12-13,15H,1-11H2/t13-/m0/s1
InChIKeyVHGUBOYVKGROFL-ZDUSSCGKSA-N
XLogP4.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 80603651
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CID 150565467
1-cycloheptylhex-5-en-1-ol
CID 65399153
1-cyclopropylheptan-1-ol
CID 10909821
1-cyclopropyltetradecan-1-ol
CID 63461268
1-cyclopropyltridecan-1-ol
CID 63410999
1-cyclohexylpentane-1,4-diol
CID 11446772
1-cycloheptyl-4-ethylsulfonylbutan-1-ol
CID 65399225
1-cyclohexyl-4-piperidin-1-ylbutan-1-ol;hydrochloride
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(1R)-1-cyclohexylethane-1,2-diol
CID 11789331

Frequently Asked Questions

What is the IUPAC name of (1S)-7-bromo-1-cyclohexylheptan-1-ol?
The IUPAC name of (1S)-7-bromo-1-cyclohexylheptan-1-ol (CID 10588552) is (1S)-7-bromo-1-cyclohexylheptan-1-ol.
What is the SMILES notation for (1S)-7-bromo-1-cyclohexylheptan-1-ol?
The canonical SMILES for (1S)-7-bromo-1-cyclohexylheptan-1-ol is O[C@@H](CCCCCCBr)C1CCCCC1.
What is the InChIKey of (1S)-7-bromo-1-cyclohexylheptan-1-ol?
The InChIKey is VHGUBOYVKGROFL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H25BrO/c14-11-7-2-1-6-10-13(15)12-8-4-3-5-9-12/h12-13,15H,1-11H2/t13-/m0/s1.
What are the key properties of (1S)-7-bromo-1-cyclohexylheptan-1-ol?
(1S)-7-bromo-1-cyclohexylheptan-1-ol has a molecular weight of 277.25 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-bromo-1-cyclohexylheptan-1-ol is sourced from PubChem (CID 10588552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).