3-bromoundecan-1-ol

C11H23BrO — CID 162349376

IUPAC3-bromoundecan-1-ol
SMILESCCCCCCCCC(Br)CCO
InChIInChI=1S/C11H23BrO/c1-2-3-4-5-6-7-8-11(12)9-10-13/h11,13H,2-10H2,1H3
InChIKeySNYRMIKEPNDWHH-UHFFFAOYSA-N
MW251.21 g/mol
LogP3.88
Rot. Bonds9

About 3-bromoundecan-1-ol

3-bromoundecan-1-ol (PubChem CID 162349376) has the molecular formula C11H23BrO and a molecular weight of 251.21 g/mol. Its IUPAC name is 3-bromoundecan-1-ol.

Molecular Properties

Compound Name3-bromoundecan-1-ol
PubChem CID162349376
Molecular FormulaC11H23BrO
Molecular Weight251.21 g/mol
Exact Mass250.09
IUPAC Name3-bromoundecan-1-ol
SMILESCCCCCCCCC(Br)CCO
InChIInChI=1S/C11H23BrO/c1-2-3-4-5-6-7-8-11(12)9-10-13/h11,13H,2-10H2,1H3
InChIKeySNYRMIKEPNDWHH-UHFFFAOYSA-N
XLogP3.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 53.88
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

6-bromopentadecane
CID 86639780
12-bromodotriacontane
CID 122613066
1,3-dibromoundecane
CID 122583600
1,6-dibromododecane
CID 18940788
1,3-dibromopentadecane
CID 122583568
1,3-dibromododecane
CID 122583611
2-bromo-1-fluorododecane
CID 12938124
3-octyltridecan-1-ol
CID 13109029
1,4-dibromononane
CID 123668754
3-pentylundecan-1-ol
CID 118576679
4-bromohexadecanoic acid
CID 164519411
12-bromooctadecanoic acid
CID 5312947

Frequently Asked Questions

What is the IUPAC name of 3-bromoundecan-1-ol?
The IUPAC name of 3-bromoundecan-1-ol (CID 162349376) is 3-bromoundecan-1-ol.
What is the SMILES notation for 3-bromoundecan-1-ol?
The canonical SMILES for 3-bromoundecan-1-ol is CCCCCCCCC(Br)CCO.
What is the InChIKey of 3-bromoundecan-1-ol?
The InChIKey is SNYRMIKEPNDWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrO/c1-2-3-4-5-6-7-8-11(12)9-10-13/h11,13H,2-10H2,1H3.
What are the key properties of 3-bromoundecan-1-ol?
3-bromoundecan-1-ol has a molecular weight of 251.21 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoundecan-1-ol is sourced from PubChem (CID 162349376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).