1-(6-bromohexoxy)-5-methyloctan-1-ol

C15H31BrO2 — CID 170743243

IUPAC1-(6-bromohexoxy)-5-methyloctan-1-ol
SMILESCCCC(C)CCCC(O)OCCCCCCBr
InChIInChI=1S/C15H31BrO2/c1-3-9-14(2)10-8-11-15(17)18-13-7-5-4-6-12-16/h14-15,17H,3-13H2,1-2H3
InChIKeyDLYSGVNQSGMANP-UHFFFAOYSA-N
MW323.32 g/mol
LogP4.88
Rot. Bonds13

About 1-(6-bromohexoxy)-5-methyloctan-1-ol

1-(6-bromohexoxy)-5-methyloctan-1-ol (PubChem CID 170743243) has the molecular formula C15H31BrO2 and a molecular weight of 323.32 g/mol. Its IUPAC name is 1-(6-bromohexoxy)-5-methyloctan-1-ol.

Molecular Properties

Compound Name1-(6-bromohexoxy)-5-methyloctan-1-ol
PubChem CID170743243
Molecular FormulaC15H31BrO2
Molecular Weight323.32 g/mol
Exact Mass322.15
IUPAC Name1-(6-bromohexoxy)-5-methyloctan-1-ol
SMILESCCCC(C)CCCC(O)OCCCCCCBr
InChIInChI=1S/C15H31BrO2/c1-3-9-14(2)10-8-11-15(17)18-13-7-5-4-6-12-16/h14-15,17H,3-13H2,1-2H3
InChIKeyDLYSGVNQSGMANP-UHFFFAOYSA-N
XLogP4.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

1-(9-bromononoxy)octan-1-ol;hexane-1-thiol
CID 170743019
1-(6-bromohexoxy)-1-[1-(6-bromohexoxy)-5-methyloctoxy]-5-methyloctane
CID 176548986
1-undecoxybutan-1-ol
CID 139971924
(4R)-1-bromo-4-methylheptane
CID 101151528
1-hexadecoxy-3,7,11,15-tetramethylhexadecan-1-ol
CID 176937133
1-bromo-10-methyltetradecane
CID 170440357
1-icosoxybutane-1,4-diol
CID 175387447
1-(4-hexoxybutoxy)butan-1-ol
CID 141002472
8-[1-[1-(6-hydroxyoctoxy)-5-methyloctoxy]-5-methyloctoxy]octan-3-ol
CID 176549001
6-methylnonan-2-ol
CID 19931334
1-dodecoxy-3-sulfanylpropan-1-ol
CID 170259722
1-butoxyoctane-1,8-diol
CID 87774765

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromohexoxy)-5-methyloctan-1-ol?
The IUPAC name of 1-(6-bromohexoxy)-5-methyloctan-1-ol (CID 170743243) is 1-(6-bromohexoxy)-5-methyloctan-1-ol.
What is the SMILES notation for 1-(6-bromohexoxy)-5-methyloctan-1-ol?
The canonical SMILES for 1-(6-bromohexoxy)-5-methyloctan-1-ol is CCCC(C)CCCC(O)OCCCCCCBr.
What is the InChIKey of 1-(6-bromohexoxy)-5-methyloctan-1-ol?
The InChIKey is DLYSGVNQSGMANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31BrO2/c1-3-9-14(2)10-8-11-15(17)18-13-7-5-4-6-12-16/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 1-(6-bromohexoxy)-5-methyloctan-1-ol?
1-(6-bromohexoxy)-5-methyloctan-1-ol has a molecular weight of 323.32 g/mol, XLogP of 4.88, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromohexoxy)-5-methyloctan-1-ol is sourced from PubChem (CID 170743243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).