(E)-3,4-dimethylpent-2-ene;ethene;propane

C12H26 — CID 178040270

IUPAC(E)-3,4-dimethylpent-2-ene;ethene;propane
SMILESC/C=C(\C)C(C)C.C=C.CCC
InChIInChI=1S/C7H14.C3H8.C2H4/c1-5-7(4)6(2)3;1-3-2;1-2/h5-6H,1-4H3;3H2,1-2H3;1-2H2/b7-5+;;
InChIKeyUDKGYMKMEPBUPF-WVKUUHRJSA-N
MW170.34 g/mol
LogP4.83
Rot. Bonds1

About (E)-3,4-dimethylpent-2-ene;ethene;propane

(E)-3,4-dimethylpent-2-ene;ethene;propane (PubChem CID 178040270) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is (E)-3,4-dimethylpent-2-ene;ethene;propane.

Molecular Properties

Compound Name(E)-3,4-dimethylpent-2-ene;ethene;propane
PubChem CID178040270
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name(E)-3,4-dimethylpent-2-ene;ethene;propane
SMILESC/C=C(\C)C(C)C.C=C.CCC
InChIInChI=1S/C7H14.C3H8.C2H4/c1-5-7(4)6(2)3;1-3-2;1-2/h5-6H,1-4H3;3H2,1-2H3;1-2H2/b7-5+;;
InChIKeyUDKGYMKMEPBUPF-WVKUUHRJSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.83
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

(Z)-3,4-dimethylpent-2-ene;ethane
CID 143977238
(Z)-3,4-dimethylpent-2-ene;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 67857329
(Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane
CID 145319399
(2E,5E)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene
CID 10954135
(E)-1-chloro-3,4-dimethylpent-2-ene
CID 14510616
(3E,5E)-2,3,6,7-tetramethylocta-3,5-diene
CID 143858492
2-but-2-en-2-yloxybutane
CID 54492212
(5E)-3,6,7-trimethylocta-2,5-diene
CID 91463486
(E)-2,3-dimethylpent-3-enal
CID 19695132
5-butyl-3,4-dimethyldec-2-ene
CID 123501765
3,4-dimethyl-7-propan-2-yldeca-2,7-diene
CID 123965899
4-methylhex-4-en-3-amine
CID 123973735

Frequently Asked Questions

What is the IUPAC name of (E)-3,4-dimethylpent-2-ene;ethene;propane?
The IUPAC name of (E)-3,4-dimethylpent-2-ene;ethene;propane (CID 178040270) is (E)-3,4-dimethylpent-2-ene;ethene;propane.
What is the SMILES notation for (E)-3,4-dimethylpent-2-ene;ethene;propane?
The canonical SMILES for (E)-3,4-dimethylpent-2-ene;ethene;propane is C/C=C(\C)C(C)C.C=C.CCC.
What is the InChIKey of (E)-3,4-dimethylpent-2-ene;ethene;propane?
The InChIKey is UDKGYMKMEPBUPF-WVKUUHRJSA-N. The full InChI is InChI=1S/C7H14.C3H8.C2H4/c1-5-7(4)6(2)3;1-3-2;1-2/h5-6H,1-4H3;3H2,1-2H3;1-2H2/b7-5+;;.
What are the key properties of (E)-3,4-dimethylpent-2-ene;ethene;propane?
(E)-3,4-dimethylpent-2-ene;ethene;propane has a molecular weight of 170.34 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,4-dimethylpent-2-ene;ethene;propane is sourced from PubChem (CID 178040270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).