4,4,6-trimethylhept-2-ene

C10H20 — CID 54443515

IUPAC4,4,6-trimethylhept-2-ene
SMILESCC=CC(C)(C)CC(C)C
InChIInChI=1S/C10H20/c1-6-7-10(4,5)8-9(2)3/h6-7,9H,8H2,1-5H3
InChIKeyUWETXCNOJKTHHM-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.63
Rot. Bonds3

About 4,4,6-trimethylhept-2-ene

4,4,6-trimethylhept-2-ene (PubChem CID 54443515) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is 4,4,6-trimethylhept-2-ene.

Molecular Properties

Compound Name4,4,6-trimethylhept-2-ene
PubChem CID54443515
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name4,4,6-trimethylhept-2-ene
SMILESCC=CC(C)(C)CC(C)C
InChIInChI=1S/C10H20/c1-6-7-10(4,5)8-9(2)3/h6-7,9H,8H2,1-5H3
InChIKeyUWETXCNOJKTHHM-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.63
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 4,4,6-trimethylhept-2-ene?
The IUPAC name of 4,4,6-trimethylhept-2-ene (CID 54443515) is 4,4,6-trimethylhept-2-ene.
What is the SMILES notation for 4,4,6-trimethylhept-2-ene?
The canonical SMILES for 4,4,6-trimethylhept-2-ene is CC=CC(C)(C)CC(C)C.
What is the InChIKey of 4,4,6-trimethylhept-2-ene?
The InChIKey is UWETXCNOJKTHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20/c1-6-7-10(4,5)8-9(2)3/h6-7,9H,8H2,1-5H3.
What are the key properties of 4,4,6-trimethylhept-2-ene?
4,4,6-trimethylhept-2-ene has a molecular weight of 140.27 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethylhept-2-ene is sourced from PubChem (CID 54443515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).