9-bromodecan-1-ol

C10H21BrO — CID 18177035

IUPAC9-bromodecan-1-ol
SMILESCC(Br)CCCCCCCCO
InChIInChI=1S/C10H21BrO/c1-10(11)8-6-4-2-3-5-7-9-12/h10,12H,2-9H2,1H3
InChIKeyNZERIIPIHFACPK-UHFFFAOYSA-N
MW237.18 g/mol
LogP3.49
Rot. Bonds8

About 9-bromodecan-1-ol

9-bromodecan-1-ol (PubChem CID 18177035) has the molecular formula C10H21BrO and a molecular weight of 237.18 g/mol. Its IUPAC name is 9-bromodecan-1-ol.

Molecular Properties

Compound Name9-bromodecan-1-ol
PubChem CID18177035
Molecular FormulaC10H21BrO
Molecular Weight237.18 g/mol
Exact Mass236.08
IUPAC Name9-bromodecan-1-ol
SMILESCC(Br)CCCCCCCCO
InChIInChI=1S/C10H21BrO/c1-10(11)8-6-4-2-3-5-7-9-12/h10,12H,2-9H2,1H3
InChIKeyNZERIIPIHFACPK-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
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 129382222
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CID 86247204
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Frequently Asked Questions

What is the IUPAC name of 9-bromodecan-1-ol?
The IUPAC name of 9-bromodecan-1-ol (CID 18177035) is 9-bromodecan-1-ol.
What is the SMILES notation for 9-bromodecan-1-ol?
The canonical SMILES for 9-bromodecan-1-ol is CC(Br)CCCCCCCCO.
What is the InChIKey of 9-bromodecan-1-ol?
The InChIKey is NZERIIPIHFACPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrO/c1-10(11)8-6-4-2-3-5-7-9-12/h10,12H,2-9H2,1H3.
What are the key properties of 9-bromodecan-1-ol?
9-bromodecan-1-ol has a molecular weight of 237.18 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromodecan-1-ol is sourced from PubChem (CID 18177035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).