(5R,6R)-6-bromodecan-5-ol

C10H21BrO — CID 122366489

IUPAC(5R,6R)-6-bromodecan-5-ol
SMILESCCCC[C@@H](O)[C@H](Br)CCCC
InChIInChI=1S/C10H21BrO/c1-3-5-7-9(11)10(12)8-6-4-2/h9-10,12H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyWVEZGHAIFRNSFH-NXEZZACHSA-N
MW237.18 g/mol
LogP3.49
Rot. Bonds7

About (5R,6R)-6-bromodecan-5-ol

(5R,6R)-6-bromodecan-5-ol (PubChem CID 122366489) has the molecular formula C10H21BrO and a molecular weight of 237.18 g/mol. Its IUPAC name is (5R,6R)-6-bromodecan-5-ol.

Molecular Properties

Compound Name(5R,6R)-6-bromodecan-5-ol
PubChem CID122366489
Molecular FormulaC10H21BrO
Molecular Weight237.18 g/mol
Exact Mass236.08
IUPAC Name(5R,6R)-6-bromodecan-5-ol
SMILESCCCC[C@@H](O)[C@H](Br)CCCC
InChIInChI=1S/C10H21BrO/c1-3-5-7-9(11)10(12)8-6-4-2/h9-10,12H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyWVEZGHAIFRNSFH-NXEZZACHSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

12-Bromo-1-dodecanol
CID 137895
11-Bromo-1-undecanol
CID 74163
1-Decanol, 10-bromo-
CID 104507
1-Nonanol, 9-bromo-
CID 108700
1-Octanol, 8-bromo-
CID 162607
15-Bromopentadecan-1-ol
CID 543850
2-Dodecanol, 1-bromo-
CID 12431739
1-Dodecanol, 2-bromo-
CID 12431741
1-Decanol, 9,10-dibromo-
CID 14103462
2-Bromododecane-1,12-diol
CID 10265707
3-Bromododecane-1,12-diol
CID 10446430
13-Bromo-1-tridecanol
CID 1636619

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-bromodecan-5-ol?
The IUPAC name of (5R,6R)-6-bromodecan-5-ol (CID 122366489) is (5R,6R)-6-bromodecan-5-ol.
What is the SMILES notation for (5R,6R)-6-bromodecan-5-ol?
The canonical SMILES for (5R,6R)-6-bromodecan-5-ol is CCCC[C@@H](O)[C@H](Br)CCCC.
What is the InChIKey of (5R,6R)-6-bromodecan-5-ol?
The InChIKey is WVEZGHAIFRNSFH-NXEZZACHSA-N. The full InChI is InChI=1S/C10H21BrO/c1-3-5-7-9(11)10(12)8-6-4-2/h9-10,12H,3-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (5R,6R)-6-bromodecan-5-ol?
(5R,6R)-6-bromodecan-5-ol has a molecular weight of 237.18 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-bromodecan-5-ol is sourced from PubChem (CID 122366489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).