ethane;3-methylpent-2-ene;propane

C14H34 — CID 144514263

IUPACethane;3-methylpent-2-ene;propane
SMILESCC.CC=C(C)CC.CCC.CCC
InChIInChI=1S/C6H12.2C3H8.C2H6/c1-4-6(3)5-2;2*1-3-2;1-2/h4H,5H2,1-3H3;2*3H2,1-2H3;1-2H3
InChIKeyVTNITXQKBRHNJI-UHFFFAOYSA-N
MW202.43 g/mol
LogP6.22
Rot. Bonds1

About ethane;3-methylpent-2-ene;propane

ethane;3-methylpent-2-ene;propane (PubChem CID 144514263) has the molecular formula C14H34 and a molecular weight of 202.43 g/mol. Its IUPAC name is ethane;3-methylpent-2-ene;propane.

Molecular Properties

Compound Nameethane;3-methylpent-2-ene;propane
PubChem CID144514263
Molecular FormulaC14H34
Molecular Weight202.43 g/mol
Exact Mass202.27
IUPAC Nameethane;3-methylpent-2-ene;propane
SMILESCC.CC=C(C)CC.CCC.CCC
InChIInChI=1S/C6H12.2C3H8.C2H6/c1-4-6(3)5-2;2*1-3-2;1-2/h4H,5H2,1-3H3;2*3H2,1-2H3;1-2H3
InChIKeyVTNITXQKBRHNJI-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500202.43
LogP ≤ 56.22
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)-3-methylpent-2-ene
CID 144523626
(Z)-3-methylpent-2-ene;(E)-3-methylpent-2-ene
CID 44630372
butane;ethane;3-methylpent-2-ene
CID 145294341
3-methylpent-2-ene;zirconium
CID 174393280
methane;(Z)-3-methylpent-2-ene;prop-1-ene
CID 142993133
ethane;(3Z)-3-fluorohexa-1,3-diene;(E)-3-methylpent-2-ene
CID 143341985
(5Z)-2,5-dimethylhepta-1,5-diene;ethane;propane
CID 144526797
3,7,11-trimethyltrideca-2,6,10-triene
CID 54049885
(3Z)-2,4-dimethylhexa-1,3-diene;ethane
CID 145177084
ethane;(E)-3-methylpent-2-en-1-amine
CID 143325002
ethane;(E)-2-methylbut-2-en-1-amine
CID 143126419
(E)-1-bromo-2-methylbut-1-ene
CID 14503597

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylpent-2-ene;propane?
The IUPAC name of ethane;3-methylpent-2-ene;propane (CID 144514263) is ethane;3-methylpent-2-ene;propane.
What is the SMILES notation for ethane;3-methylpent-2-ene;propane?
The canonical SMILES for ethane;3-methylpent-2-ene;propane is CC.CC=C(C)CC.CCC.CCC.
What is the InChIKey of ethane;3-methylpent-2-ene;propane?
The InChIKey is VTNITXQKBRHNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.2C3H8.C2H6/c1-4-6(3)5-2;2*1-3-2;1-2/h4H,5H2,1-3H3;2*3H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methylpent-2-ene;propane?
ethane;3-methylpent-2-ene;propane has a molecular weight of 202.43 g/mol, XLogP of 6.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylpent-2-ene;propane is sourced from PubChem (CID 144514263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).