2,7,7-trimethyloct-3-ene

C11H22 — CID 91132702

IUPAC2,7,7-trimethyloct-3-ene
SMILESCC(C)C=CCCC(C)(C)C
InChIInChI=1S/C11H22/c1-10(2)8-6-7-9-11(3,4)5/h6,8,10H,7,9H2,1-5H3
InChIKeyGHVFOOQMLPSCHZ-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.02
Rot. Bonds3

About 2,7,7-trimethyloct-3-ene

2,7,7-trimethyloct-3-ene (PubChem CID 91132702) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 2,7,7-trimethyloct-3-ene.

Molecular Properties

Compound Name2,7,7-trimethyloct-3-ene
PubChem CID91132702
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name2,7,7-trimethyloct-3-ene
SMILESCC(C)C=CCCC(C)(C)C
InChIInChI=1S/C11H22/c1-10(2)8-6-7-9-11(3,4)5/h6,8,10H,7,9H2,1-5H3
InChIKeyGHVFOOQMLPSCHZ-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.02
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 2,7,7-trimethyloct-3-ene?
The IUPAC name of 2,7,7-trimethyloct-3-ene (CID 91132702) is 2,7,7-trimethyloct-3-ene.
What is the SMILES notation for 2,7,7-trimethyloct-3-ene?
The canonical SMILES for 2,7,7-trimethyloct-3-ene is CC(C)C=CCCC(C)(C)C.
What is the InChIKey of 2,7,7-trimethyloct-3-ene?
The InChIKey is GHVFOOQMLPSCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-10(2)8-6-7-9-11(3,4)5/h6,8,10H,7,9H2,1-5H3.
What are the key properties of 2,7,7-trimethyloct-3-ene?
2,7,7-trimethyloct-3-ene has a molecular weight of 154.30 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,7-trimethyloct-3-ene is sourced from PubChem (CID 91132702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).