butane;(4Z)-3,7-dimethylocta-1,4,6-triene;ethane

C18H38 — CID 143356307

IUPACbutane;(4Z)-3,7-dimethylocta-1,4,6-triene;ethane
SMILESC=CC(C)/C=C\C=C(C)C.CC.CC.CCCC
InChIInChI=1S/C10H16.C4H10.2C2H6/c1-5-10(4)8-6-7-9(2)3;1-3-4-2;2*1-2/h5-8,10H,1H2,2-4H3;3-4H2,1-2H3;2*1-2H3/b8-6-;;;
InChIKeyVBBMAYUNLCXUHW-DOTWGIOWSA-N
MW254.50 g/mol
LogP7.19
Rot. Bonds4

About butane;(4Z)-3,7-dimethylocta-1,4,6-triene;ethane

butane;(4Z)-3,7-dimethylocta-1,4,6-triene;ethane (PubChem CID 143356307) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is butane;(4Z)-3,7-dimethylocta-1,4,6-triene;ethane.

Molecular Properties

Compound Namebutane;(4Z)-3,7-dimethylocta-1,4,6-triene;ethane
PubChem CID143356307
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Namebutane;(4Z)-3,7-dimethylocta-1,4,6-triene;ethane
SMILESC=CC(C)/C=C\C=C(C)C.CC.CC.CCCC
InChIInChI=1S/C10H16.C4H10.2C2H6/c1-5-10(4)8-6-7-9(2)3;1-3-4-2;2*1-2/h5-8,10H,1H2,2-4H3;3-4H2,1-2H3;2*1-2H3/b8-6-;;;
InChIKeyVBBMAYUNLCXUHW-DOTWGIOWSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 57.19
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

3,7-dimethyldeca-1,4,6-triene
CID 123725882
(3E,5E,7R,8Z)-3,7,11-trimethyldodeca-1,3,5,8,10-pentaene
CID 162885437
(3E)-5-methylhepta-1,3,6-triene
CID 5367027
ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene
CID 153392422
2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene
CID 162298747
3-methylocta-1,4-diene
CID 123442447
2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane
CID 162272245
ethane;3-methylpenta-1,4-diene
CID 144868161
2,6-dimethylocta-1,4,7-triene
CID 71437037
3,6-dimethylocta-1,4,6-triene
CID 90763944
(4Z,7Z)-2,6-dimethyl-10-nitrodeca-2,4,7-triene
CID 142053613
(4E)-2,7-dimethylocta-2,4,6-triene
CID 11116127

Frequently Asked Questions

What is the IUPAC name of butane;(4Z)-3,7-dimethylocta-1,4,6-triene;ethane?
The IUPAC name of butane;(4Z)-3,7-dimethylocta-1,4,6-triene;ethane (CID 143356307) is butane;(4Z)-3,7-dimethylocta-1,4,6-triene;ethane.
What is the SMILES notation for butane;(4Z)-3,7-dimethylocta-1,4,6-triene;ethane?
The canonical SMILES for butane;(4Z)-3,7-dimethylocta-1,4,6-triene;ethane is C=CC(C)/C=C\C=C(C)C.CC.CC.CCCC.
What is the InChIKey of butane;(4Z)-3,7-dimethylocta-1,4,6-triene;ethane?
The InChIKey is VBBMAYUNLCXUHW-DOTWGIOWSA-N. The full InChI is InChI=1S/C10H16.C4H10.2C2H6/c1-5-10(4)8-6-7-9(2)3;1-3-4-2;2*1-2/h5-8,10H,1H2,2-4H3;3-4H2,1-2H3;2*1-2H3/b8-6-;;;.
What are the key properties of butane;(4Z)-3,7-dimethylocta-1,4,6-triene;ethane?
butane;(4Z)-3,7-dimethylocta-1,4,6-triene;ethane has a molecular weight of 254.50 g/mol, XLogP of 7.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(4Z)-3,7-dimethylocta-1,4,6-triene;ethane is sourced from PubChem (CID 143356307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).