4-but-3-en-2-yloxy-2,6,8-trimethylnonane

C16H32O — CID 169038465

IUPAC4-but-3-en-2-yloxy-2,6,8-trimethylnonane
SMILESC=CC(C)OC(CC(C)C)CC(C)CC(C)C
InChIInChI=1S/C16H32O/c1-8-15(7)17-16(10-13(4)5)11-14(6)9-12(2)3/h8,12-16H,1,9-11H2,2-7H3
InChIKeyCVBRGYGOUCNOOT-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.06
Rot. Bonds9

About 4-but-3-en-2-yloxy-2,6,8-trimethylnonane

4-but-3-en-2-yloxy-2,6,8-trimethylnonane (PubChem CID 169038465) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 4-but-3-en-2-yloxy-2,6,8-trimethylnonane.

Molecular Properties

Compound Name4-but-3-en-2-yloxy-2,6,8-trimethylnonane
PubChem CID169038465
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name4-but-3-en-2-yloxy-2,6,8-trimethylnonane
SMILESC=CC(C)OC(CC(C)C)CC(C)CC(C)C
InChIInChI=1S/C16H32O/c1-8-15(7)17-16(10-13(4)5)11-14(6)9-12(2)3/h8,12-16H,1,9-11H2,2-7H3
InChIKeyCVBRGYGOUCNOOT-UHFFFAOYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-but-3-en-2-yloxy-2,6,8-trimethylnonane?
The IUPAC name of 4-but-3-en-2-yloxy-2,6,8-trimethylnonane (CID 169038465) is 4-but-3-en-2-yloxy-2,6,8-trimethylnonane.
What is the SMILES notation for 4-but-3-en-2-yloxy-2,6,8-trimethylnonane?
The canonical SMILES for 4-but-3-en-2-yloxy-2,6,8-trimethylnonane is C=CC(C)OC(CC(C)C)CC(C)CC(C)C.
What is the InChIKey of 4-but-3-en-2-yloxy-2,6,8-trimethylnonane?
The InChIKey is CVBRGYGOUCNOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-8-15(7)17-16(10-13(4)5)11-14(6)9-12(2)3/h8,12-16H,1,9-11H2,2-7H3.
What are the key properties of 4-but-3-en-2-yloxy-2,6,8-trimethylnonane?
4-but-3-en-2-yloxy-2,6,8-trimethylnonane has a molecular weight of 240.43 g/mol, XLogP of 5.06, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-en-2-yloxy-2,6,8-trimethylnonane is sourced from PubChem (CID 169038465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).