3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5-methylideneoxolan-2-one

C15H22O2 — CID 134900633

IUPAC3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5-methylideneoxolan-2-one
SMILESC=C1CC(C/C=C(/C)CCC=C(C)C)C(=O)O1
InChIInChI=1S/C15H22O2/c1-11(2)6-5-7-12(3)8-9-14-10-13(4)17-15(14)16/h6,8,14H,4-5,7,9-10H2,1-3H3/b12-8-
InChIKeyBYTKHDKJNFAXLO-WQLSENKSSA-N
MW234.34 g/mol
LogP4.15
Rot. Bonds5

About 3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5-methylideneoxolan-2-one

3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5-methylideneoxolan-2-one (PubChem CID 134900633) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5-methylideneoxolan-2-one.

Molecular Properties

Compound Name3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5-methylideneoxolan-2-one
PubChem CID134900633
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5-methylideneoxolan-2-one
SMILESC=C1CC(C/C=C(/C)CCC=C(C)C)C(=O)O1
InChIInChI=1S/C15H22O2/c1-11(2)6-5-7-12(3)8-9-14-10-13(4)17-15(14)16/h6,8,14H,4-5,7,9-10H2,1-3H3/b12-8-
InChIKeyBYTKHDKJNFAXLO-WQLSENKSSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5-methylideneoxolan-2-one?
The IUPAC name of 3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5-methylideneoxolan-2-one (CID 134900633) is 3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5-methylideneoxolan-2-one.
What is the SMILES notation for 3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5-methylideneoxolan-2-one?
The canonical SMILES for 3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5-methylideneoxolan-2-one is C=C1CC(C/C=C(/C)CCC=C(C)C)C(=O)O1.
What is the InChIKey of 3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5-methylideneoxolan-2-one?
The InChIKey is BYTKHDKJNFAXLO-WQLSENKSSA-N. The full InChI is InChI=1S/C15H22O2/c1-11(2)6-5-7-12(3)8-9-14-10-13(4)17-15(14)16/h6,8,14H,4-5,7,9-10H2,1-3H3/b12-8-.
What are the key properties of 3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5-methylideneoxolan-2-one?
3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5-methylideneoxolan-2-one has a molecular weight of 234.34 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5-methylideneoxolan-2-one is sourced from PubChem (CID 134900633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).