(Z)-1-bromo-7-[[(Z)-1-bromopentadec-3-en-7-yl]oxymethoxymethoxy]pentadec-3-ene

C32H60Br2O3 — CID 163288032

IUPAC(Z)-1-bromo-7-[[(Z)-1-bromopentadec-3-en-7-yl]oxymethoxymethoxy]pentadec-3-ene
SMILESCCCCCCCCC(CC/C=C\CCBr)OCOCOC(CC/C=C\CCBr)CCCCCCCC
InChIInChI=1S/C32H60Br2O3/c1-3-5-7-9-11-17-23-31(25-19-13-15-21-27-33)36-29-35-30-37-32(26-20-14-16-22-28-34)24-18-12-10-8-6-4-2/h13-16,31-32H,3-12,17-30H2,1-2H3/b15-13-,16-14-
InChIKeyOUHAWKYNZHITCB-VMNXYWKNSA-N
MW652.64 g/mol
LogP11.43
Rot. Bonds30

About (Z)-1-bromo-7-[[(Z)-1-bromopentadec-3-en-7-yl]oxymethoxymethoxy]pentadec-3-ene

(Z)-1-bromo-7-[[(Z)-1-bromopentadec-3-en-7-yl]oxymethoxymethoxy]pentadec-3-ene (PubChem CID 163288032) has the molecular formula C32H60Br2O3 and a molecular weight of 652.64 g/mol. Its IUPAC name is (Z)-1-bromo-7-[[(Z)-1-bromopentadec-3-en-7-yl]oxymethoxymethoxy]pentadec-3-ene.

Molecular Properties

Compound Name(Z)-1-bromo-7-[[(Z)-1-bromopentadec-3-en-7-yl]oxymethoxymethoxy]pentadec-3-ene
PubChem CID163288032
Molecular FormulaC32H60Br2O3
Molecular Weight652.64 g/mol
Exact Mass650.29
IUPAC Name(Z)-1-bromo-7-[[(Z)-1-bromopentadec-3-en-7-yl]oxymethoxymethoxy]pentadec-3-ene
SMILESCCCCCCCCC(CC/C=C\CCBr)OCOCOC(CC/C=C\CCBr)CCCCCCCC
InChIInChI=1S/C32H60Br2O3/c1-3-5-7-9-11-17-23-31(25-19-13-15-21-27-33)36-29-35-30-37-32(26-20-14-16-22-28-34)24-18-12-10-8-6-4-2/h13-16,31-32H,3-12,17-30H2,1-2H3/b15-13-,16-14-
InChIKeyOUHAWKYNZHITCB-VMNXYWKNSA-N
XLogP11.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.64
LogP ≤ 511.43
H-Bond Donors ≤ 50
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

(Z)-1-bromo-12,12-di(nonoxy)dodec-3-ene
CID 163205524
1-bromoundec-3-ene
CID 54069038
1-[[(E)-6-bromohex-3-enoxy]methoxy]decane
CID 163205155
6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888
19-[5-(5-bromopentoxy)pentadecyl]heptatriacontane
CID 177291631
(3R,6E,10E,14E)-1-iodo-3-(methoxymethoxy)heptacosa-6,10,14-triene
CID 11060759
9-ethoxyoctadecane
CID 87148376
1,3-didecoxyundecane
CID 142711236
icos-13-en-10-yl acetate
CID 175361590
3-[1-(diethylamino)icos-11-en-3-yloxy]-N,N-diethylicos-11-en-1-amine
CID 73034967
[(E)-pentacos-11-en-8-yl] acetate
CID 126648537

Frequently Asked Questions

What is the IUPAC name of (Z)-1-bromo-7-[[(Z)-1-bromopentadec-3-en-7-yl]oxymethoxymethoxy]pentadec-3-ene?
The IUPAC name of (Z)-1-bromo-7-[[(Z)-1-bromopentadec-3-en-7-yl]oxymethoxymethoxy]pentadec-3-ene (CID 163288032) is (Z)-1-bromo-7-[[(Z)-1-bromopentadec-3-en-7-yl]oxymethoxymethoxy]pentadec-3-ene.
What is the SMILES notation for (Z)-1-bromo-7-[[(Z)-1-bromopentadec-3-en-7-yl]oxymethoxymethoxy]pentadec-3-ene?
The canonical SMILES for (Z)-1-bromo-7-[[(Z)-1-bromopentadec-3-en-7-yl]oxymethoxymethoxy]pentadec-3-ene is CCCCCCCCC(CC/C=C\CCBr)OCOCOC(CC/C=C\CCBr)CCCCCCCC.
What is the InChIKey of (Z)-1-bromo-7-[[(Z)-1-bromopentadec-3-en-7-yl]oxymethoxymethoxy]pentadec-3-ene?
The InChIKey is OUHAWKYNZHITCB-VMNXYWKNSA-N. The full InChI is InChI=1S/C32H60Br2O3/c1-3-5-7-9-11-17-23-31(25-19-13-15-21-27-33)36-29-35-30-37-32(26-20-14-16-22-28-34)24-18-12-10-8-6-4-2/h13-16,31-32H,3-12,17-30H2,1-2H3/b15-13-,16-14-.
What are the key properties of (Z)-1-bromo-7-[[(Z)-1-bromopentadec-3-en-7-yl]oxymethoxymethoxy]pentadec-3-ene?
(Z)-1-bromo-7-[[(Z)-1-bromopentadec-3-en-7-yl]oxymethoxymethoxy]pentadec-3-ene has a molecular weight of 652.64 g/mol, XLogP of 11.43, 30 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-bromo-7-[[(Z)-1-bromopentadec-3-en-7-yl]oxymethoxymethoxy]pentadec-3-ene is sourced from PubChem (CID 163288032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).