(E)-6-butylhexacos-7-ene

C30H60 — CID 173194372

IUPAC(E)-6-butylhexacos-7-ene
SMILESCCCCCCCCCCCCCCCCCC/C=C/C(CCCC)CCCCC
InChIInChI=1S/C30H60/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29-30(27-9-6-3)28-25-8-5-2/h26,29-30H,4-25,27-28H2,1-3H3/b29-26+
InChIKeyVQMYHPRKZIFFCM-PBBVDAKRSA-N
MW420.81 g/mol
LogP11.58
Rot. Bonds25

About (E)-6-butylhexacos-7-ene

(E)-6-butylhexacos-7-ene (PubChem CID 173194372) has the molecular formula C30H60 and a molecular weight of 420.81 g/mol. Its IUPAC name is (E)-6-butylhexacos-7-ene.

Molecular Properties

Compound Name(E)-6-butylhexacos-7-ene
PubChem CID173194372
Molecular FormulaC30H60
Molecular Weight420.81 g/mol
Exact Mass420.47
IUPAC Name(E)-6-butylhexacos-7-ene
SMILESCCCCCCCCCCCCCCCCCC/C=C/C(CCCC)CCCCC
InChIInChI=1S/C30H60/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29-30(27-9-6-3)28-25-8-5-2/h26,29-30H,4-25,27-28H2,1-3H3/b29-26+
InChIKeyVQMYHPRKZIFFCM-PBBVDAKRSA-N
XLogP11.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.81
LogP ≤ 511.58
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

(4E,13E,18Z)-N,N-dimethyl-6-[(Z)-octadec-9-enyl]tetracosa-4,13,18-trien-1-amine
CID 167059151
9,10-dioctyloctadeca-7,11-diene
CID 173120989
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-but-1-enylundecane
CID 91155625
(E)-6-ethylundec-4-ene
CID 140796673
(E)-10-methylheptadec-8-ene
CID 10923034
(E,11S)-11-methyltricos-9-ene
CID 163215390
5-methylpentadec-6-ene
CID 123440014
2-methyl-7-(3-methylbutyl)dodec-5-ene
CID 123813369
(Z,2R,10R)-2-nonacosyltridec-3-ene-1,10-diol
CID 163044249
5-prop-1-enyltridecane
CID 57064303
7-[(Z)-4-methylpent-1-enyl]tridecane
CID 140612974

Frequently Asked Questions

What is the IUPAC name of (E)-6-butylhexacos-7-ene?
The IUPAC name of (E)-6-butylhexacos-7-ene (CID 173194372) is (E)-6-butylhexacos-7-ene.
What is the SMILES notation for (E)-6-butylhexacos-7-ene?
The canonical SMILES for (E)-6-butylhexacos-7-ene is CCCCCCCCCCCCCCCCCC/C=C/C(CCCC)CCCCC.
What is the InChIKey of (E)-6-butylhexacos-7-ene?
The InChIKey is VQMYHPRKZIFFCM-PBBVDAKRSA-N. The full InChI is InChI=1S/C30H60/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29-30(27-9-6-3)28-25-8-5-2/h26,29-30H,4-25,27-28H2,1-3H3/b29-26+.
What are the key properties of (E)-6-butylhexacos-7-ene?
(E)-6-butylhexacos-7-ene has a molecular weight of 420.81 g/mol, XLogP of 11.58, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-butylhexacos-7-ene is sourced from PubChem (CID 173194372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).