acetylene;1-bromobutane;1-bromodecane;dodec-1-yne;(Z)-hexadec-5-ene;(Z)-hexadec-11-en-1-ol;hexadec-5-yne;molecular hydrogen

C76H150Br2O — CID 158711970

IUPACacetylene;1-bromobutane;1-bromodecane;dodec-1-yne;(Z)-hexadec-5-ene;(Z)-hexadec-11-en-1-ol;hexadec-5-yne;molecular hydrogen
SMILESC#C.C#CCCCCCCCCCC.CCCC/C=C\CCCCCCCCCC.CCCC/C=C\CCCCCCCCCCO.CCCCBr.CCCCC#CCCCCCCCCCC.CCCCCCCCCCBr.[H][H]
InChIInChI=1S/C16H32O.C16H32.C16H30.C12H22.C10H21Br.C4H9Br.C2H2.H2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;2*1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-5-7-9-11-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11;1-2-3-4-5;1-2;/h5-6,17H,2-4,7-16H2,1H3;9,11H,3-8,10,12-16H2,1-2H3;3-9,11,13-16H2,1-2H3;1H,4-12H2,2H3;2-10H2,1H3;2-4H2,1H3;1-2H;1H/b6-5-;11-9-;;;;;;
InChIKeyIIVMCWIWBOVWAK-QUHDXHIASA-N
MW1239.84 g/mol
LogP28.56
Rot. Bonds53

About acetylene;1-bromobutane;1-bromodecane;dodec-1-yne;(Z)-hexadec-5-ene;(Z)-hexadec-11-en-1-ol;hexadec-5-yne;molecular hydrogen

acetylene;1-bromobutane;1-bromodecane;dodec-1-yne;(Z)-hexadec-5-ene;(Z)-hexadec-11-en-1-ol;hexadec-5-yne;molecular hydrogen (PubChem CID 158711970) has the molecular formula C76H150Br2O and a molecular weight of 1239.84 g/mol. Its IUPAC name is acetylene;1-bromobutane;1-bromodecane;dodec-1-yne;(Z)-hexadec-5-ene;(Z)-hexadec-11-en-1-ol;hexadec-5-yne;molecular hydrogen.

Molecular Properties

Compound Nameacetylene;1-bromobutane;1-bromodecane;dodec-1-yne;(Z)-hexadec-5-ene;(Z)-hexadec-11-en-1-ol;hexadec-5-yne;molecular hydrogen
PubChem CID158711970
Molecular FormulaC76H150Br2O
Molecular Weight1239.84 g/mol
Exact Mass1237.01
IUPAC Nameacetylene;1-bromobutane;1-bromodecane;dodec-1-yne;(Z)-hexadec-5-ene;(Z)-hexadec-11-en-1-ol;hexadec-5-yne;molecular hydrogen
SMILESC#C.C#CCCCCCCCCCC.CCCC/C=C\CCCCCCCCCC.CCCC/C=C\CCCCCCCCCCO.CCCCBr.CCCCC#CCCCCCCCCCC.CCCCCCCCCCBr.[H][H]
InChIInChI=1S/C16H32O.C16H32.C16H30.C12H22.C10H21Br.C4H9Br.C2H2.H2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;2*1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-5-7-9-11-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11;1-2-3-4-5;1-2;/h5-6,17H,2-4,7-16H2,1H3;9,11H,3-8,10,12-16H2,1-2H3;3-9,11,13-16H2,1-2H3;1H,4-12H2,2H3;2-10H2,1H3;2-4H2,1H3;1-2H;1H/b6-5-;11-9-;;;;;;
InChIKeyIIVMCWIWBOVWAK-QUHDXHIASA-N
XLogP28.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds53
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001239.84
LogP ≤ 528.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze acetylene;1-bromobutane;1-bromodecane;dodec-1-yne;(Z)-hexadec-5-ene;(Z)-hexadec-11-en-1-ol;hexadec-5-yne;molecular hydrogen with MolForge

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Related Compounds

5-bromopent-1-ene;hex-1-yne;undec-1-en-6-yne
CID 161104978
(E)-heptadec-5-en-1-ol
CID 170849266
(E)-heptadec-7-en-1-ol
CID 19790013
(5Z,11Z)-icosa-5,11-dien-1-ol
CID 51353972
henicos-10-en-1-ol
CID 86069169
(Z)-octadec-7-en-1-ol
CID 13338918
(E)-heptadec-12-en-1-ol
CID 87814318
(E)-henicos-12-en-1-ol
CID 19702453
heptadec-8-yn-1-ol
CID 10491053
hexacos-17-en-1-ol
CID 139697197
(Z)-triacont-9-en-1-ol
CID 170943144
octadec-9-en-1-ol
CID 8927

Frequently Asked Questions

What is the IUPAC name of acetylene;1-bromobutane;1-bromodecane;dodec-1-yne;(Z)-hexadec-5-ene;(Z)-hexadec-11-en-1-ol;hexadec-5-yne;molecular hydrogen?
The IUPAC name of acetylene;1-bromobutane;1-bromodecane;dodec-1-yne;(Z)-hexadec-5-ene;(Z)-hexadec-11-en-1-ol;hexadec-5-yne;molecular hydrogen (CID 158711970) is acetylene;1-bromobutane;1-bromodecane;dodec-1-yne;(Z)-hexadec-5-ene;(Z)-hexadec-11-en-1-ol;hexadec-5-yne;molecular hydrogen.
What is the SMILES notation for acetylene;1-bromobutane;1-bromodecane;dodec-1-yne;(Z)-hexadec-5-ene;(Z)-hexadec-11-en-1-ol;hexadec-5-yne;molecular hydrogen?
The canonical SMILES for acetylene;1-bromobutane;1-bromodecane;dodec-1-yne;(Z)-hexadec-5-ene;(Z)-hexadec-11-en-1-ol;hexadec-5-yne;molecular hydrogen is C#C.C#CCCCCCCCCCC.CCCC/C=C\CCCCCCCCCC.CCCC/C=C\CCCCCCCCCCO.CCCCBr.CCCCC#CCCCCCCCCCC.CCCCCCCCCCBr.[H][H].
What is the InChIKey of acetylene;1-bromobutane;1-bromodecane;dodec-1-yne;(Z)-hexadec-5-ene;(Z)-hexadec-11-en-1-ol;hexadec-5-yne;molecular hydrogen?
The InChIKey is IIVMCWIWBOVWAK-QUHDXHIASA-N. The full InChI is InChI=1S/C16H32O.C16H32.C16H30.C12H22.C10H21Br.C4H9Br.C2H2.H2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;2*1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-5-7-9-11-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11;1-2-3-4-5;1-2;/h5-6,17H,2-4,7-16H2,1H3;9,11H,3-8,10,12-16H2,1-2H3;3-9,11,13-16H2,1-2H3;1H,4-12H2,2H3;2-10H2,1H3;2-4H2,1H3;1-2H;1H/b6-5-;11-9-;;;;;;.
What are the key properties of acetylene;1-bromobutane;1-bromodecane;dodec-1-yne;(Z)-hexadec-5-ene;(Z)-hexadec-11-en-1-ol;hexadec-5-yne;molecular hydrogen?
acetylene;1-bromobutane;1-bromodecane;dodec-1-yne;(Z)-hexadec-5-ene;(Z)-hexadec-11-en-1-ol;hexadec-5-yne;molecular hydrogen has a molecular weight of 1239.84 g/mol, XLogP of 28.56, 53 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1-bromobutane;1-bromodecane;dodec-1-yne;(Z)-hexadec-5-ene;(Z)-hexadec-11-en-1-ol;hexadec-5-yne;molecular hydrogen is sourced from PubChem (CID 158711970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).