ethane;5-methylideneoct-1-ene;2-methylprop-1-ene

C19H42 — CID 142462861

IUPACethane;5-methylideneoct-1-ene;2-methylprop-1-ene
SMILESC=C(C)C.C=CCCC(=C)CCC.CC.CC.CC
InChIInChI=1S/C9H16.C4H8.3C2H6/c1-4-6-8-9(3)7-5-2;1-4(2)3;3*1-2/h4H,1,3,5-8H2,2H3;1H2,2-3H3;3*1-2H3
InChIKeyCHPIJJUXEWTWEL-UHFFFAOYSA-N
MW270.54 g/mol
LogP7.97
Rot. Bonds5

About ethane;5-methylideneoct-1-ene;2-methylprop-1-ene

ethane;5-methylideneoct-1-ene;2-methylprop-1-ene (PubChem CID 142462861) has the molecular formula C19H42 and a molecular weight of 270.54 g/mol. Its IUPAC name is ethane;5-methylideneoct-1-ene;2-methylprop-1-ene.

Molecular Properties

Compound Nameethane;5-methylideneoct-1-ene;2-methylprop-1-ene
PubChem CID142462861
Molecular FormulaC19H42
Molecular Weight270.54 g/mol
Exact Mass270.33
IUPAC Nameethane;5-methylideneoct-1-ene;2-methylprop-1-ene
SMILESC=C(C)C.C=CCCC(=C)CCC.CC.CC.CC
InChIInChI=1S/C9H16.C4H8.3C2H6/c1-4-6-8-9(3)7-5-2;1-4(2)3;3*1-2/h4H,1,3,5-8H2,2H3;1H2,2-3H3;3*1-2H3
InChIKeyCHPIJJUXEWTWEL-UHFFFAOYSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.54
LogP ≤ 57.97
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

7-methylidenedec-1-ene
CID 123417470
ethane;ethene;2-methylprop-1-ene;pent-1-ene
CID 172567576
5-methylidenehept-1-ene
CID 54202269
4-methylideneheptanal
CID 130026370
ethane;hex-1-ene;2-methylprop-1-ene;propane
CID 144528656
2-methyl-4-methylideneocta-1,7-diene
CID 140752999
4,7-dimethylidenedecane
CID 543440
ethane;2-methylhexa-1,5-diene;molecular hydrogen
CID 144513072
2,6-dimethyl-10-methylidenetrideca-2,6-diene
CID 141408483
8-methylidenedodec-1-ene
CID 169088157
butane;but-1-ene;2-methylprop-1-ene
CID 158176864
ethane;(5Z)-5-methylhepta-1,5-diene
CID 142997772

Frequently Asked Questions

What is the IUPAC name of ethane;5-methylideneoct-1-ene;2-methylprop-1-ene?
The IUPAC name of ethane;5-methylideneoct-1-ene;2-methylprop-1-ene (CID 142462861) is ethane;5-methylideneoct-1-ene;2-methylprop-1-ene.
What is the SMILES notation for ethane;5-methylideneoct-1-ene;2-methylprop-1-ene?
The canonical SMILES for ethane;5-methylideneoct-1-ene;2-methylprop-1-ene is C=C(C)C.C=CCCC(=C)CCC.CC.CC.CC.
What is the InChIKey of ethane;5-methylideneoct-1-ene;2-methylprop-1-ene?
The InChIKey is CHPIJJUXEWTWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.C4H8.3C2H6/c1-4-6-8-9(3)7-5-2;1-4(2)3;3*1-2/h4H,1,3,5-8H2,2H3;1H2,2-3H3;3*1-2H3.
What are the key properties of ethane;5-methylideneoct-1-ene;2-methylprop-1-ene?
ethane;5-methylideneoct-1-ene;2-methylprop-1-ene has a molecular weight of 270.54 g/mol, XLogP of 7.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methylideneoct-1-ene;2-methylprop-1-ene is sourced from PubChem (CID 142462861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).