ethane;5-methylhex-2-ene;propane

C16H40 — CID 143336274

IUPACethane;5-methylhex-2-ene;propane
SMILESCC.CC.CC.CC=CCC(C)C.CCC
InChIInChI=1S/C7H14.C3H8.3C2H6/c1-4-5-6-7(2)3;1-3-2;3*1-2/h4-5,7H,6H2,1-3H3;3H2,1-2H3;3*1-2H3
InChIKeySBJGBXMSZCTEAX-UHFFFAOYSA-N
MW232.50 g/mol
LogP7.10
Rot. Bonds2

About ethane;5-methylhex-2-ene;propane

ethane;5-methylhex-2-ene;propane (PubChem CID 143336274) has the molecular formula C16H40 and a molecular weight of 232.50 g/mol. Its IUPAC name is ethane;5-methylhex-2-ene;propane.

Molecular Properties

Compound Nameethane;5-methylhex-2-ene;propane
PubChem CID143336274
Molecular FormulaC16H40
Molecular Weight232.50 g/mol
Exact Mass232.31
IUPAC Nameethane;5-methylhex-2-ene;propane
SMILESCC.CC.CC.CC=CCC(C)C.CCC
InChIInChI=1S/C7H14.C3H8.3C2H6/c1-4-5-6-7(2)3;1-3-2;3*1-2/h4-5,7H,6H2,1-3H3;3H2,1-2H3;3*1-2H3
InChIKeySBJGBXMSZCTEAX-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.50
LogP ≤ 57.10
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

ethane;(E)-5-methylhex-2-ene
CID 143114143
ethane;(2Z,4Z)-7-methylocta-2,4-diene
CID 143708090
7-methylocta-2,4-diene
CID 519923
ethane;2-methylbutane;2-methylpropane;pent-2-ene;propane
CID 143337610
(E)-5-methylhept-2-ene
CID 5364849
2,4-dimethylpentane;ethane;6-methylhept-3-ene;propane
CID 144507824
5-ethyl-6-methylhept-2-ene
CID 54081587
ethane;(Z)-5-methoxyhex-2-ene
CID 145378965
5-bromohex-2-ene
CID 53438987
[(Z)-4-methylpent-1-enyl]-[(Z)-prop-1-enyl]diazene
CID 139440788
(Z,2S)-3-ethylhept-5-en-2-ol
CID 89085981
(3S,5Z)-3-methylhepta-1,5-diene
CID 24884419

Frequently Asked Questions

What is the IUPAC name of ethane;5-methylhex-2-ene;propane?
The IUPAC name of ethane;5-methylhex-2-ene;propane (CID 143336274) is ethane;5-methylhex-2-ene;propane.
What is the SMILES notation for ethane;5-methylhex-2-ene;propane?
The canonical SMILES for ethane;5-methylhex-2-ene;propane is CC.CC.CC.CC=CCC(C)C.CCC.
What is the InChIKey of ethane;5-methylhex-2-ene;propane?
The InChIKey is SBJGBXMSZCTEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C3H8.3C2H6/c1-4-5-6-7(2)3;1-3-2;3*1-2/h4-5,7H,6H2,1-3H3;3H2,1-2H3;3*1-2H3.
What are the key properties of ethane;5-methylhex-2-ene;propane?
ethane;5-methylhex-2-ene;propane has a molecular weight of 232.50 g/mol, XLogP of 7.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methylhex-2-ene;propane is sourced from PubChem (CID 143336274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).