ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene

C23H52 — CID 153392422

IUPACethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene
SMILESC/C=C/C=C(C)C.C=CC.CC.CC.CC(C)C.CCC(C)C
InChIInChI=1S/C7H12.C5H12.C4H10.C3H6.2C2H6/c1-4-5-6-7(2)3;1-4-5(2)3;1-4(2)3;1-3-2;2*1-2/h4-6H,1-3H3;5H,4H2,1-3H3;4H,1-3H3;3H,1H2,2H3;2*1-2H3/b5-4+;;;;;
InChIKeyUHNRLZKKRADDRA-FNMVVZLKSA-N
MW328.67 g/mol
LogP9.49
Rot. Bonds2

About ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene

ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene (PubChem CID 153392422) has the molecular formula C23H52 and a molecular weight of 328.67 g/mol. Its IUPAC name is ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene.

Molecular Properties

Compound Nameethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene
PubChem CID153392422
Molecular FormulaC23H52
Molecular Weight328.67 g/mol
Exact Mass328.41
IUPAC Nameethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene
SMILESC/C=C/C=C(C)C.C=CC.CC.CC.CC(C)C.CCC(C)C
InChIInChI=1S/C7H12.C5H12.C4H10.C3H6.2C2H6/c1-4-5-6-7(2)3;1-4-5(2)3;1-4(2)3;1-3-2;2*1-2/h4-6H,1-3H3;5H,4H2,1-3H3;4H,1-3H3;3H,1H2,2H3;2*1-2H3/b5-4+;;;;;
InChIKeyUHNRLZKKRADDRA-FNMVVZLKSA-N
XLogP9.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.67
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methylbutane;bis(2-methylbut-2-ene)
CID 162288148
ethane;2-methylbutane;N-methylpropan-2-amine;prop-1-ene
CID 156818429
butane;(4Z)-3,7-dimethylocta-1,4,6-triene;ethane
CID 143356307
6-ethyl-5,8-dimethylnona-2,4-diene
CID 123215869
ethane;2-methylpropane;prop-1-ene
CID 142053608
2-methyltetradeca-2,4,6,8,10,12-hexaene
CID 72567686
2-methyldeca-2,4,6,8-tetraene
CID 123313204
(2Z,4Z)-7-methyl-5-prop-1-en-2-ylnona-2,4-diene
CID 145116686
2,3-dimethylpentane;ethane;2-methylpropane;prop-1-ene
CID 143365587
ethane;(4E,6Z)-4-methylocta-1,4,6-triene
CID 142893307
ethane;3-methylpentane;(3Z)-penta-1,3-diene;propane
CID 142901462
ethane;(4Z)-2-methylhexa-2,4-diene;nitromethane
CID 142945468

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene?
The IUPAC name of ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene (CID 153392422) is ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene.
What is the SMILES notation for ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene?
The canonical SMILES for ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene is C/C=C/C=C(C)C.C=CC.CC.CC.CC(C)C.CCC(C)C.
What is the InChIKey of ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene?
The InChIKey is UHNRLZKKRADDRA-FNMVVZLKSA-N. The full InChI is InChI=1S/C7H12.C5H12.C4H10.C3H6.2C2H6/c1-4-5-6-7(2)3;1-4-5(2)3;1-4(2)3;1-3-2;2*1-2/h4-6H,1-3H3;5H,4H2,1-3H3;4H,1-3H3;3H,1H2,2H3;2*1-2H3/b5-4+;;;;;.
What are the key properties of ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene?
ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene has a molecular weight of 328.67 g/mol, XLogP of 9.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene is sourced from PubChem (CID 153392422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).