ethane;4-ethyl-2-methylhexane;propane;bis(prop-1-ene)

C20H46 — CID 143418802

IUPACethane;4-ethyl-2-methylhexane;propane;bis(prop-1-ene)
SMILESC=CC.C=CC.CC.CCC.CCC(CC)CC(C)C
InChIInChI=1S/C9H20.C3H8.2C3H6.C2H6/c1-5-9(6-2)7-8(3)4;3*1-3-2;1-2/h8-9H,5-7H2,1-4H3;3H2,1-2H3;2*3H,1H2,2H3;1-2H3
InChIKeyFPVWEIPZESHHEW-UHFFFAOYSA-N
MW286.59 g/mol
LogP8.30
Rot. Bonds4

About ethane;4-ethyl-2-methylhexane;propane;bis(prop-1-ene)

ethane;4-ethyl-2-methylhexane;propane;bis(prop-1-ene) (PubChem CID 143418802) has the molecular formula C20H46 and a molecular weight of 286.59 g/mol. Its IUPAC name is ethane;4-ethyl-2-methylhexane;propane;bis(prop-1-ene).

Molecular Properties

Compound Nameethane;4-ethyl-2-methylhexane;propane;bis(prop-1-ene)
PubChem CID143418802
Molecular FormulaC20H46
Molecular Weight286.59 g/mol
Exact Mass286.36
IUPAC Nameethane;4-ethyl-2-methylhexane;propane;bis(prop-1-ene)
SMILESC=CC.C=CC.CC.CCC.CCC(CC)CC(C)C
InChIInChI=1S/C9H20.C3H8.2C3H6.C2H6/c1-5-9(6-2)7-8(3)4;3*1-3-2;1-2/h8-9H,5-7H2,1-4H3;3H2,1-2H3;2*3H,1H2,2H3;1-2H3
InChIKeyFPVWEIPZESHHEW-UHFFFAOYSA-N
XLogP8.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.59
LogP ≤ 58.30
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

bis(4-ethyl-2-methylhexane);2-methylbutane
CID 161441490
ethane;2-methylbutane;N-methylpropan-2-amine;prop-1-ene
CID 156818429
N-ethenyl-2-ethyl-N-[(Z)-ethylideneamino]-4-methylpentan-1-amine
CID 178004585
(E)-6-ethyl-4,4-difluoro-8-methylnon-2-ene
CID 176963028
4-ethyl-2,7-dimethyloctane
CID 53423923
butane;ethane;propane;prop-1-ene
CID 143366707
ethane;ethene;2-methylbutane;propane
CID 142006499
ethane;4-ethyl-2-methylhexane;toluene
CID 162724612
3-ethylhexane;2-methylhexane;prop-1-ene
CID 144809780
ethane;2-methylpropane;prop-1-ene
CID 142053608
2,3-dimethylpentane;ethane;2-methylpropane;prop-1-ene
CID 143365587
4-ethyl-2-methylheptane;methane
CID 160575103

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-2-methylhexane;propane;bis(prop-1-ene)?
The IUPAC name of ethane;4-ethyl-2-methylhexane;propane;bis(prop-1-ene) (CID 143418802) is ethane;4-ethyl-2-methylhexane;propane;bis(prop-1-ene).
What is the SMILES notation for ethane;4-ethyl-2-methylhexane;propane;bis(prop-1-ene)?
The canonical SMILES for ethane;4-ethyl-2-methylhexane;propane;bis(prop-1-ene) is C=CC.C=CC.CC.CCC.CCC(CC)CC(C)C.
What is the InChIKey of ethane;4-ethyl-2-methylhexane;propane;bis(prop-1-ene)?
The InChIKey is FPVWEIPZESHHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.C3H8.2C3H6.C2H6/c1-5-9(6-2)7-8(3)4;3*1-3-2;1-2/h8-9H,5-7H2,1-4H3;3H2,1-2H3;2*3H,1H2,2H3;1-2H3.
What are the key properties of ethane;4-ethyl-2-methylhexane;propane;bis(prop-1-ene)?
ethane;4-ethyl-2-methylhexane;propane;bis(prop-1-ene) has a molecular weight of 286.59 g/mol, XLogP of 8.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-2-methylhexane;propane;bis(prop-1-ene) is sourced from PubChem (CID 143418802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).