2,2,3-trimethylhept-3-ene

C10H20 — CID 73411222

IUPAC2,2,3-trimethylhept-3-ene
SMILESCCCC=C(C)C(C)(C)C
InChIInChI=1S/C10H20/c1-6-7-8-9(2)10(3,4)5/h8H,6-7H2,1-5H3
InChIKeyLYXAEXTVPDHVFS-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.78
Rot. Bonds2

About 2,2,3-trimethylhept-3-ene

2,2,3-trimethylhept-3-ene (PubChem CID 73411222) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is 2,2,3-trimethylhept-3-ene.

Molecular Properties

Compound Name2,2,3-trimethylhept-3-ene
PubChem CID73411222
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name2,2,3-trimethylhept-3-ene
SMILESCCCC=C(C)C(C)(C)C
InChIInChI=1S/C10H20/c1-6-7-8-9(2)10(3,4)5/h8H,6-7H2,1-5H3
InChIKeyLYXAEXTVPDHVFS-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.78
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 2,2,3-trimethylhept-3-ene?
The IUPAC name of 2,2,3-trimethylhept-3-ene (CID 73411222) is 2,2,3-trimethylhept-3-ene.
What is the SMILES notation for 2,2,3-trimethylhept-3-ene?
The canonical SMILES for 2,2,3-trimethylhept-3-ene is CCCC=C(C)C(C)(C)C.
What is the InChIKey of 2,2,3-trimethylhept-3-ene?
The InChIKey is LYXAEXTVPDHVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20/c1-6-7-8-9(2)10(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of 2,2,3-trimethylhept-3-ene?
2,2,3-trimethylhept-3-ene has a molecular weight of 140.27 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethylhept-3-ene is sourced from PubChem (CID 73411222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).