2-methyl-7-(3-methylbutyl)dodec-5-ene

C18H36 — CID 123813369

IUPAC2-methyl-7-(3-methylbutyl)dodec-5-ene
SMILESCCCCCC(C=CCCC(C)C)CCC(C)C
InChIInChI=1S/C18H36/c1-6-7-8-12-18(15-14-17(4)5)13-10-9-11-16(2)3/h10,13,16-18H,6-9,11-12,14-15H2,1-5H3
InChIKeyNRFHNEVGMRNDCP-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.61
Rot. Bonds11

About 2-methyl-7-(3-methylbutyl)dodec-5-ene

2-methyl-7-(3-methylbutyl)dodec-5-ene (PubChem CID 123813369) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 2-methyl-7-(3-methylbutyl)dodec-5-ene.

Molecular Properties

Compound Name2-methyl-7-(3-methylbutyl)dodec-5-ene
PubChem CID123813369
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name2-methyl-7-(3-methylbutyl)dodec-5-ene
SMILESCCCCCC(C=CCCC(C)C)CCC(C)C
InChIInChI=1S/C18H36/c1-6-7-8-12-18(15-14-17(4)5)13-10-9-11-16(2)3/h10,13,16-18H,6-9,11-12,14-15H2,1-5H3
InChIKeyNRFHNEVGMRNDCP-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-6-butylhexacos-7-ene
CID 173194372
7-[(Z)-4-methylpent-1-enyl]tridecane
CID 140612974
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CID 91155625
(E)-6-ethylundec-4-ene
CID 140796673
(4Z,6Z)-3-butyl-10-methylundeca-4,6-dien-1-amine
CID 174255634
(E)-2-methylheptadec-8-ene
CID 20541049
(Z)-22-methyltricos-9-ene
CID 152752766
(E)-2-methylheptadec-7-ene
CID 173124832
2-methylhenicos-9-ene
CID 54211724
(5Z,9Z,12Z)-2-methyloctadeca-5,9,12-triene
CID 173133183
11-ethylhenicos-9-ene;11-ethyltricos-9-ene;3-methylheptadecane;3-methylhexadecane;3-methylnonadecane;3-methyloctadecane;3-methylpentadecane;3-methyltetradecane;(E)-nonadec-9-ene
CID 158490711
6-[(E)-prop-1-enyl]undecane
CID 134941128

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(3-methylbutyl)dodec-5-ene?
The IUPAC name of 2-methyl-7-(3-methylbutyl)dodec-5-ene (CID 123813369) is 2-methyl-7-(3-methylbutyl)dodec-5-ene.
What is the SMILES notation for 2-methyl-7-(3-methylbutyl)dodec-5-ene?
The canonical SMILES for 2-methyl-7-(3-methylbutyl)dodec-5-ene is CCCCCC(C=CCCC(C)C)CCC(C)C.
What is the InChIKey of 2-methyl-7-(3-methylbutyl)dodec-5-ene?
The InChIKey is NRFHNEVGMRNDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-6-7-8-12-18(15-14-17(4)5)13-10-9-11-16(2)3/h10,13,16-18H,6-9,11-12,14-15H2,1-5H3.
What are the key properties of 2-methyl-7-(3-methylbutyl)dodec-5-ene?
2-methyl-7-(3-methylbutyl)dodec-5-ene has a molecular weight of 252.49 g/mol, XLogP of 6.61, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(3-methylbutyl)dodec-5-ene is sourced from PubChem (CID 123813369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).