(E)-but-2-ene;3-methylhexane

C11H24 — CID 142016608

IUPAC(E)-but-2-ene;3-methylhexane
SMILESC/C=C/C.CCCC(C)CC
InChIInChI=1S/C7H16.C4H8/c1-4-6-7(3)5-2;1-3-4-2/h7H,4-6H2,1-3H3;3-4H,1-2H3/b;4-3+
InChIKeyGYNRQGDIZGNRGZ-SCBDLNNBSA-N
MW156.31 g/mol
LogP4.41
Rot. Bonds3

About (E)-but-2-ene;3-methylhexane

(E)-but-2-ene;3-methylhexane (PubChem CID 142016608) has the molecular formula C11H24 and a molecular weight of 156.31 g/mol. Its IUPAC name is (E)-but-2-ene;3-methylhexane.

Molecular Properties

Compound Name(E)-but-2-ene;3-methylhexane
PubChem CID142016608
Molecular FormulaC11H24
Molecular Weight156.31 g/mol
Exact Mass156.19
IUPAC Name(E)-but-2-ene;3-methylhexane
SMILESC/C=C/C.CCCC(C)CC
InChIInChI=1S/C7H16.C4H8/c1-4-6-7(3)5-2;1-3-4-2/h7H,4-6H2,1-3H3;3-4H,1-2H3/b;4-3+
InChIKeyGYNRQGDIZGNRGZ-SCBDLNNBSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.31
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-but-2-ene;3-methylhexane?
The IUPAC name of (E)-but-2-ene;3-methylhexane (CID 142016608) is (E)-but-2-ene;3-methylhexane.
What is the SMILES notation for (E)-but-2-ene;3-methylhexane?
The canonical SMILES for (E)-but-2-ene;3-methylhexane is C/C=C/C.CCCC(C)CC.
What is the InChIKey of (E)-but-2-ene;3-methylhexane?
The InChIKey is GYNRQGDIZGNRGZ-SCBDLNNBSA-N. The full InChI is InChI=1S/C7H16.C4H8/c1-4-6-7(3)5-2;1-3-4-2/h7H,4-6H2,1-3H3;3-4H,1-2H3/b;4-3+.
What are the key properties of (E)-but-2-ene;3-methylhexane?
(E)-but-2-ene;3-methylhexane has a molecular weight of 156.31 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-ene;3-methylhexane is sourced from PubChem (CID 142016608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).