8-bromo-3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol

C10H19BrO3 — CID 173443603

IUPAC8-bromo-3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol
SMILESCC(O)(CBr)CCCC(=CCO)CO
InChIInChI=1S/C10H19BrO3/c1-10(14,8-11)5-2-3-9(7-13)4-6-12/h4,12-14H,2-3,5-8H2,1H3
InChIKeyWAKIOHULJPEBFE-UHFFFAOYSA-N
MW267.16 g/mol
LogP1.21
Rot. Bonds7

About 8-bromo-3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol

8-bromo-3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol (PubChem CID 173443603) has the molecular formula C10H19BrO3 and a molecular weight of 267.16 g/mol. Its IUPAC name is 8-bromo-3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol.

Molecular Properties

Compound Name8-bromo-3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol
PubChem CID173443603
Molecular FormulaC10H19BrO3
Molecular Weight267.16 g/mol
Exact Mass266.05
IUPAC Name8-bromo-3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol
SMILESCC(O)(CBr)CCCC(=CCO)CO
InChIInChI=1S/C10H19BrO3/c1-10(14,8-11)5-2-3-9(7-13)4-6-12/h4,12-14H,2-3,5-8H2,1H3
InChIKeyWAKIOHULJPEBFE-UHFFFAOYSA-N
XLogP1.21
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol
CID 173441654
3-(hydroxymethyl)-7,11,15-trimethylhexadec-2-ene-1,15-diol
CID 78200754
(E)-2-propylbut-2-ene-1,4-diol
CID 13265476
3-(hydroxymethyl)pent-2-ene-1,5-diol
CID 54163262
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,34-pentaene-1,19,23,27,31-pentol
CID 3035757
(E)-3-ethyloct-2-en-1-ol
CID 13383767
(E)-7-ethoxy-3,7-dimethyloct-2-en-1-ol
CID 5368091
(E)-3-ethyldec-2-en-1-ol
CID 118599698
(4S)-5-bromo-4-hydroxy-4-methylpentan-2-one
CID 155123975
2,7-dimethyloct-6-ene-1,2-diol
CID 10654785
2,6,10-trimethyldodeca-2,10-dien-6-ol
CID 174144692
2-hydroxy-9-[3-[5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-2-methyloxiran-2-yl]-2,6-dimethylnon-3-en-5-one
CID 163010812

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol?
The IUPAC name of 8-bromo-3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol (CID 173443603) is 8-bromo-3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol.
What is the SMILES notation for 8-bromo-3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol?
The canonical SMILES for 8-bromo-3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol is CC(O)(CBr)CCCC(=CCO)CO.
What is the InChIKey of 8-bromo-3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol?
The InChIKey is WAKIOHULJPEBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO3/c1-10(14,8-11)5-2-3-9(7-13)4-6-12/h4,12-14H,2-3,5-8H2,1H3.
What are the key properties of 8-bromo-3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol?
8-bromo-3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol has a molecular weight of 267.16 g/mol, XLogP of 1.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol is sourced from PubChem (CID 173443603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).