1,1,2-tribromooct-1-en-3-ol

C8H13Br3O — CID 10785026

IUPAC1,1,2-tribromooct-1-en-3-ol
SMILESCCCCCC(O)C(Br)=C(Br)Br
InChIInChI=1S/C8H13Br3O/c1-2-3-4-5-6(12)7(9)8(10)11/h6,12H,2-5H2,1H3
InChIKeyOMXFNJKEFPNNIB-UHFFFAOYSA-N
MW364.90 g/mol
LogP4.28
Rot. Bonds5

About 1,1,2-tribromooct-1-en-3-ol

1,1,2-tribromooct-1-en-3-ol (PubChem CID 10785026) has the molecular formula C8H13Br3O and a molecular weight of 364.90 g/mol. Its IUPAC name is 1,1,2-tribromooct-1-en-3-ol.

Molecular Properties

Compound Name1,1,2-tribromooct-1-en-3-ol
PubChem CID10785026
Molecular FormulaC8H13Br3O
Molecular Weight364.90 g/mol
Exact Mass361.85
IUPAC Name1,1,2-tribromooct-1-en-3-ol
SMILESCCCCCC(O)C(Br)=C(Br)Br
InChIInChI=1S/C8H13Br3O/c1-2-3-4-5-6(12)7(9)8(10)11/h6,12H,2-5H2,1H3
InChIKeyOMXFNJKEFPNNIB-UHFFFAOYSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyheptanoic acid
CID 2750949
1-bromohexadecan-1-ol
CID 22463419
2-hydroxydecanoic acid
CID 161255514
(2R)-2-hydroxyheptanoate
CID 7054559
(2R)-2-hydroxydecanoic acid
CID 13144006
2-hydroxytridecanoic acid
CID 5282901
2-hydroxyoctadecanoic acid
CID 87724091
3-hydroxydecan-2-one
CID 12524096
(2R)-heptan-2-ol
CID 6992611
decane;dodecane-1,1-diol
CID 162011285
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
(7R)-hexatriacontan-7-ol
CID 88529159

Frequently Asked Questions

What is the IUPAC name of 1,1,2-tribromooct-1-en-3-ol?
The IUPAC name of 1,1,2-tribromooct-1-en-3-ol (CID 10785026) is 1,1,2-tribromooct-1-en-3-ol.
What is the SMILES notation for 1,1,2-tribromooct-1-en-3-ol?
The canonical SMILES for 1,1,2-tribromooct-1-en-3-ol is CCCCCC(O)C(Br)=C(Br)Br.
What is the InChIKey of 1,1,2-tribromooct-1-en-3-ol?
The InChIKey is OMXFNJKEFPNNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Br3O/c1-2-3-4-5-6(12)7(9)8(10)11/h6,12H,2-5H2,1H3.
What are the key properties of 1,1,2-tribromooct-1-en-3-ol?
1,1,2-tribromooct-1-en-3-ol has a molecular weight of 364.90 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tribromooct-1-en-3-ol is sourced from PubChem (CID 10785026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).