1-bromo-1-methoxy-8-methylnon-8-ene-1,7-diol

C11H21BrO3 — CID 88752071

IUPAC1-bromo-1-methoxy-8-methylnon-8-ene-1,7-diol
SMILESC=C(C)C(O)CCCCCC(O)(Br)OC
InChIInChI=1S/C11H21BrO3/c1-9(2)10(13)7-5-4-6-8-11(12,14)15-3/h10,13-14H,1,4-8H2,2-3H3
InChIKeyVWTSELCQJUXCOM-UHFFFAOYSA-N
MW281.19 g/mol
LogP2.56
Rot. Bonds8

About 1-bromo-1-methoxy-8-methylnon-8-ene-1,7-diol

1-bromo-1-methoxy-8-methylnon-8-ene-1,7-diol (PubChem CID 88752071) has the molecular formula C11H21BrO3 and a molecular weight of 281.19 g/mol. Its IUPAC name is 1-bromo-1-methoxy-8-methylnon-8-ene-1,7-diol.

Molecular Properties

Compound Name1-bromo-1-methoxy-8-methylnon-8-ene-1,7-diol
PubChem CID88752071
Molecular FormulaC11H21BrO3
Molecular Weight281.19 g/mol
Exact Mass280.07
IUPAC Name1-bromo-1-methoxy-8-methylnon-8-ene-1,7-diol
SMILESC=C(C)C(O)CCCCCC(O)(Br)OC
InChIInChI=1S/C11H21BrO3/c1-9(2)10(13)7-5-4-6-8-11(12,14)15-3/h10,13-14H,1,4-8H2,2-3H3
InChIKeyVWTSELCQJUXCOM-UHFFFAOYSA-N
XLogP2.56
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-2-methylhex-1-en-3-ol
CID 105110564
(5S)-2,6-dimethylhept-6-ene-2,5-diol
CID 11815994
14-hydroxy-15-methylhexadec-15-enoic acid
CID 551190
2-methylnon-1-ene-3,7-diol
CID 140997811
5-hydroxy-6-methylhept-6-enoic acid
CID 22417308
2-methyl-6-phenylhex-1-en-3-ol
CID 23207508
2,6-dimethylhept-1-en-3-ol
CID 13208265
[1,9-dihydroxy-1-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate
CID 156900264
2,15,15-trihydroxyhexadecanoic acid
CID 145010859
7,8,9-tris(6,6-dihydroxyhexyl)-8-methylpentadecane-1,1,7,9,15,15-hexol
CID 91471952
hepta-1,6-diene;2-methylhepta-1,6-dien-3-ol
CID 161073978
2,14-dimethylpentadecane-2,8,14-triol
CID 88582277

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-methoxy-8-methylnon-8-ene-1,7-diol?
The IUPAC name of 1-bromo-1-methoxy-8-methylnon-8-ene-1,7-diol (CID 88752071) is 1-bromo-1-methoxy-8-methylnon-8-ene-1,7-diol.
What is the SMILES notation for 1-bromo-1-methoxy-8-methylnon-8-ene-1,7-diol?
The canonical SMILES for 1-bromo-1-methoxy-8-methylnon-8-ene-1,7-diol is C=C(C)C(O)CCCCCC(O)(Br)OC.
What is the InChIKey of 1-bromo-1-methoxy-8-methylnon-8-ene-1,7-diol?
The InChIKey is VWTSELCQJUXCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO3/c1-9(2)10(13)7-5-4-6-8-11(12,14)15-3/h10,13-14H,1,4-8H2,2-3H3.
What are the key properties of 1-bromo-1-methoxy-8-methylnon-8-ene-1,7-diol?
1-bromo-1-methoxy-8-methylnon-8-ene-1,7-diol has a molecular weight of 281.19 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-methoxy-8-methylnon-8-ene-1,7-diol is sourced from PubChem (CID 88752071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).