(7R)-9-bromo-7-methylnonan-1-ol

C10H21BrO — CID 139766854

IUPAC(7R)-9-bromo-7-methylnonan-1-ol
SMILESC[C@@H](CCBr)CCCCCCO
InChIInChI=1S/C10H21BrO/c1-10(7-8-11)6-4-2-3-5-9-12/h10,12H,2-9H2,1H3/t10-/m1/s1
InChIKeyPIMNESWPJFCUAB-SNVBAGLBSA-N
MW237.18 g/mol
LogP3.35
Rot. Bonds8

About (7R)-9-bromo-7-methylnonan-1-ol

(7R)-9-bromo-7-methylnonan-1-ol (PubChem CID 139766854) has the molecular formula C10H21BrO and a molecular weight of 237.18 g/mol. Its IUPAC name is (7R)-9-bromo-7-methylnonan-1-ol.

Molecular Properties

Compound Name(7R)-9-bromo-7-methylnonan-1-ol
PubChem CID139766854
Molecular FormulaC10H21BrO
Molecular Weight237.18 g/mol
Exact Mass236.08
IUPAC Name(7R)-9-bromo-7-methylnonan-1-ol
SMILESC[C@@H](CCBr)CCCCCCO
InChIInChI=1S/C10H21BrO/c1-10(7-8-11)6-4-2-3-5-9-12/h10,12H,2-9H2,1H3/t10-/m1/s1
InChIKeyPIMNESWPJFCUAB-SNVBAGLBSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 53.35
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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(3R)-5-bromo-3-methylpentan-1-ol
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2,6,10,15,19,23-hexamethyltetracosane;16-methylheptadecan-1-ol
CID 174818152
6-methylhexadecan-1-ol
CID 22027437
10-methylhexadecan-1-ol
CID 10244159
9-methylhexadecan-1-ol
CID 22027455
7-methylpentadecan-1-ol
CID 18427312
(6S)-6-methyloctadecan-1-ol
CID 162994676
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CID 154310087
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Frequently Asked Questions

What is the IUPAC name of (7R)-9-bromo-7-methylnonan-1-ol?
The IUPAC name of (7R)-9-bromo-7-methylnonan-1-ol (CID 139766854) is (7R)-9-bromo-7-methylnonan-1-ol.
What is the SMILES notation for (7R)-9-bromo-7-methylnonan-1-ol?
The canonical SMILES for (7R)-9-bromo-7-methylnonan-1-ol is C[C@@H](CCBr)CCCCCCO.
What is the InChIKey of (7R)-9-bromo-7-methylnonan-1-ol?
The InChIKey is PIMNESWPJFCUAB-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H21BrO/c1-10(7-8-11)6-4-2-3-5-9-12/h10,12H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of (7R)-9-bromo-7-methylnonan-1-ol?
(7R)-9-bromo-7-methylnonan-1-ol has a molecular weight of 237.18 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-9-bromo-7-methylnonan-1-ol is sourced from PubChem (CID 139766854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).