(E)-2-methylhex-3-ene

C7H14 — CID 5352548

IUPAC(E)-2-methylhex-3-ene
SMILESCC/C=C/C(C)C
InChIInChI=1S/C7H14/c1-4-5-6-7(2)3/h5-7H,4H2,1-3H3/b6-5+
InChIKeyIQANHWBWTVLDTP-AATRIKPKSA-N
MW98.19 g/mol
LogP2.61
Rot. Bonds2

About (E)-2-methylhex-3-ene

(E)-2-methylhex-3-ene (PubChem CID 5352548) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is (E)-2-methylhex-3-ene.

Molecular Properties

Compound Name(E)-2-methylhex-3-ene
PubChem CID5352548
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Name(E)-2-methylhex-3-ene
SMILESCC/C=C/C(C)C
InChIInChI=1S/C7H14/c1-4-5-6-7(2)3/h5-7H,4H2,1-3H3/b6-5+
InChIKeyIQANHWBWTVLDTP-AATRIKPKSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.61
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)-2-methylhex-3-ene?
The IUPAC name of (E)-2-methylhex-3-ene (CID 5352548) is (E)-2-methylhex-3-ene.
What is the SMILES notation for (E)-2-methylhex-3-ene?
The canonical SMILES for (E)-2-methylhex-3-ene is CC/C=C/C(C)C.
What is the InChIKey of (E)-2-methylhex-3-ene?
The InChIKey is IQANHWBWTVLDTP-AATRIKPKSA-N. The full InChI is InChI=1S/C7H14/c1-4-5-6-7(2)3/h5-7H,4H2,1-3H3/b6-5+.
What are the key properties of (E)-2-methylhex-3-ene?
(E)-2-methylhex-3-ene has a molecular weight of 98.19 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methylhex-3-ene is sourced from PubChem (CID 5352548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).