(E)-2,6-dimethylhept-3-ene

C9H18 — CID 5364654

IUPAC(E)-2,6-dimethylhept-3-ene
SMILESCC(C)/C=C/CC(C)C
InChIInChI=1S/C9H18/c1-8(2)6-5-7-9(3)4/h5-6,8-9H,7H2,1-4H3/b6-5+
InChIKeyKDISTZUHDQPXDE-AATRIKPKSA-N
MW126.24 g/mol
LogP3.24
Rot. Bonds3

About (E)-2,6-dimethylhept-3-ene

(E)-2,6-dimethylhept-3-ene (PubChem CID 5364654) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is (E)-2,6-dimethylhept-3-ene.

Molecular Properties

Compound Name(E)-2,6-dimethylhept-3-ene
PubChem CID5364654
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name(E)-2,6-dimethylhept-3-ene
SMILESCC(C)/C=C/CC(C)C
InChIInChI=1S/C9H18/c1-8(2)6-5-7-9(3)4/h5-6,8-9H,7H2,1-4H3/b6-5+
InChIKeyKDISTZUHDQPXDE-AATRIKPKSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.24
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)-2,6-dimethylhept-3-ene?
The IUPAC name of (E)-2,6-dimethylhept-3-ene (CID 5364654) is (E)-2,6-dimethylhept-3-ene.
What is the SMILES notation for (E)-2,6-dimethylhept-3-ene?
The canonical SMILES for (E)-2,6-dimethylhept-3-ene is CC(C)/C=C/CC(C)C.
What is the InChIKey of (E)-2,6-dimethylhept-3-ene?
The InChIKey is KDISTZUHDQPXDE-AATRIKPKSA-N. The full InChI is InChI=1S/C9H18/c1-8(2)6-5-7-9(3)4/h5-6,8-9H,7H2,1-4H3/b6-5+.
What are the key properties of (E)-2,6-dimethylhept-3-ene?
(E)-2,6-dimethylhept-3-ene has a molecular weight of 126.24 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,6-dimethylhept-3-ene is sourced from PubChem (CID 5364654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).