butane;2,7-dimethyloct-4-ene;4-methylpent-1-ene

C20H42 — CID 158518430

IUPACbutane;2,7-dimethyloct-4-ene;4-methylpent-1-ene
SMILESC=CCC(C)C.CC(C)CC=CCC(C)C.CCCC
InChIInChI=1S/C10H20.C6H12.C4H10/c1-9(2)7-5-6-8-10(3)4;1-4-5-6(2)3;1-3-4-2/h5-6,9-10H,7-8H2,1-4H3;4,6H,1,5H2,2-3H3;3-4H2,1-2H3
InChIKeyHLXKWFVAYRGCOY-UHFFFAOYSA-N
MW282.56 g/mol
LogP7.66
Rot. Bonds7

About butane;2,7-dimethyloct-4-ene;4-methylpent-1-ene

butane;2,7-dimethyloct-4-ene;4-methylpent-1-ene (PubChem CID 158518430) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is butane;2,7-dimethyloct-4-ene;4-methylpent-1-ene.

Molecular Properties

Compound Namebutane;2,7-dimethyloct-4-ene;4-methylpent-1-ene
PubChem CID158518430
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Namebutane;2,7-dimethyloct-4-ene;4-methylpent-1-ene
SMILESC=CCC(C)C.CC(C)CC=CCC(C)C.CCCC
InChIInChI=1S/C10H20.C6H12.C4H10/c1-9(2)7-5-6-8-10(3)4;1-4-5-6(2)3;1-3-4-2/h5-6,9-10H,7-8H2,1-4H3;4,6H,1,5H2,2-3H3;3-4H2,1-2H3
InChIKeyHLXKWFVAYRGCOY-UHFFFAOYSA-N
XLogP7.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

but-1-ene;4-methylpent-1-ene
CID 23001909
ethanol;4-methylpent-1-ene
CID 141289447
but-1-ene;4-methylpent-1-ene;prop-1-ene
CID 172806960
8-methylnona-1,5-diene
CID 54303226
8-methylnona-1,5-diene;2-methylprop-1-ene
CID 173298827
(E)-2-methyldec-4-ene
CID 5364887
4-methylpent-1-ene;propylidenecyclopropane
CID 173050388
(4E,14E)-2-methylnonadeca-4,14-diene
CID 177270218
(Z)-4-methyl-1-prop-2-enoxypent-1-ene
CID 118124236
bis(2-methylpentane);4-methylpentan-2-one;4-methylpent-1-ene
CID 158440590
(4E,6E)-2-methyldeca-4,6-diene
CID 102247745
10-methylundeca-3,7-diene
CID 91333064

Frequently Asked Questions

What is the IUPAC name of butane;2,7-dimethyloct-4-ene;4-methylpent-1-ene?
The IUPAC name of butane;2,7-dimethyloct-4-ene;4-methylpent-1-ene (CID 158518430) is butane;2,7-dimethyloct-4-ene;4-methylpent-1-ene.
What is the SMILES notation for butane;2,7-dimethyloct-4-ene;4-methylpent-1-ene?
The canonical SMILES for butane;2,7-dimethyloct-4-ene;4-methylpent-1-ene is C=CCC(C)C.CC(C)CC=CCC(C)C.CCCC.
What is the InChIKey of butane;2,7-dimethyloct-4-ene;4-methylpent-1-ene?
The InChIKey is HLXKWFVAYRGCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C6H12.C4H10/c1-9(2)7-5-6-8-10(3)4;1-4-5-6(2)3;1-3-4-2/h5-6,9-10H,7-8H2,1-4H3;4,6H,1,5H2,2-3H3;3-4H2,1-2H3.
What are the key properties of butane;2,7-dimethyloct-4-ene;4-methylpent-1-ene?
butane;2,7-dimethyloct-4-ene;4-methylpent-1-ene has a molecular weight of 282.56 g/mol, XLogP of 7.66, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2,7-dimethyloct-4-ene;4-methylpent-1-ene is sourced from PubChem (CID 158518430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).