10-bromo-1,1-di(nonoxy)decane

C28H57BrO2 — CID 146509943

IUPAC10-bromo-1,1-di(nonoxy)decane
SMILESCCCCCCCCCOC(CCCCCCCCCBr)OCCCCCCCCC
InChIInChI=1S/C28H57BrO2/c1-3-5-7-9-14-18-22-26-30-28(24-20-16-12-11-13-17-21-25-29)31-27-23-19-15-10-8-6-4-2/h28H,3-27H2,1-2H3
InChIKeyPAQWOMNWFGMQOM-UHFFFAOYSA-N
MW505.67 g/mol
LogP10.36
Rot. Bonds27

About 10-bromo-1,1-di(nonoxy)decane

10-bromo-1,1-di(nonoxy)decane (PubChem CID 146509943) has the molecular formula C28H57BrO2 and a molecular weight of 505.67 g/mol. Its IUPAC name is 10-bromo-1,1-di(nonoxy)decane.

Molecular Properties

Compound Name10-bromo-1,1-di(nonoxy)decane
PubChem CID146509943
Molecular FormulaC28H57BrO2
Molecular Weight505.67 g/mol
Exact Mass504.35
IUPAC Name10-bromo-1,1-di(nonoxy)decane
SMILESCCCCCCCCCOC(CCCCCCCCCBr)OCCCCCCCCC
InChIInChI=1S/C28H57BrO2/c1-3-5-7-9-14-18-22-26-30-28(24-20-16-12-11-13-17-21-25-29)31-27-23-19-15-10-8-6-4-2/h28H,3-27H2,1-2H3
InChIKeyPAQWOMNWFGMQOM-UHFFFAOYSA-N
XLogP10.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.67
LogP ≤ 510.36
H-Bond Donors ≤ 50
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

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CID 146464261
1,1-dibutoxyoctane
CID 54557001
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CID 163205524
6-methyl-1,1-dioctoxyheptane
CID 171428766
1-(6-chloro-1-heptoxyhexoxy)heptane
CID 165175032
1-(15,15-dioctoxy-1-propoxypentadecoxy)-15,15-dioctoxy-1-propoxypentadecane
CID 175225222
19-[5-(5-bromopentoxy)pentadecyl]heptatriacontane
CID 177291631
1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane
CID 175168734
9-bromo-1,1-bis[(Z)-oct-5-enoxy]nonane
CID 164551897
16-bromo-1,1-diethoxyhexadecane
CID 88601641
15-[19,19-di(nonoxy)nonadecan-5-yloxy]-1,1-di(nonoxy)nonadecane
CID 175226226
4,4-di(tetradecoxy)butan-1-amine
CID 87630255

Frequently Asked Questions

What is the IUPAC name of 10-bromo-1,1-di(nonoxy)decane?
The IUPAC name of 10-bromo-1,1-di(nonoxy)decane (CID 146509943) is 10-bromo-1,1-di(nonoxy)decane.
What is the SMILES notation for 10-bromo-1,1-di(nonoxy)decane?
The canonical SMILES for 10-bromo-1,1-di(nonoxy)decane is CCCCCCCCCOC(CCCCCCCCCBr)OCCCCCCCCC.
What is the InChIKey of 10-bromo-1,1-di(nonoxy)decane?
The InChIKey is PAQWOMNWFGMQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57BrO2/c1-3-5-7-9-14-18-22-26-30-28(24-20-16-12-11-13-17-21-25-29)31-27-23-19-15-10-8-6-4-2/h28H,3-27H2,1-2H3.
What are the key properties of 10-bromo-1,1-di(nonoxy)decane?
10-bromo-1,1-di(nonoxy)decane has a molecular weight of 505.67 g/mol, XLogP of 10.36, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-1,1-di(nonoxy)decane is sourced from PubChem (CID 146509943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).