3-(10-methyltetradec-7-en-6-yl)oxolane-2,5-dione

C19H32O3 — CID 134320042

IUPAC3-(10-methyltetradec-7-en-6-yl)oxolane-2,5-dione
SMILESCCCCCC(C=CCC(C)CCCC)C1CC(=O)OC1=O
InChIInChI=1S/C19H32O3/c1-4-6-8-12-16(17-14-18(20)22-19(17)21)13-9-11-15(3)10-7-5-2/h9,13,15-17H,4-8,10-12,14H2,1-3H3
InChIKeyYAGOIGRJBJBRDN-UHFFFAOYSA-N
MW308.46 g/mol
LogP5.05
Rot. Bonds11

About 3-(10-methyltetradec-7-en-6-yl)oxolane-2,5-dione

3-(10-methyltetradec-7-en-6-yl)oxolane-2,5-dione (PubChem CID 134320042) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 3-(10-methyltetradec-7-en-6-yl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-(10-methyltetradec-7-en-6-yl)oxolane-2,5-dione
PubChem CID134320042
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name3-(10-methyltetradec-7-en-6-yl)oxolane-2,5-dione
SMILESCCCCCC(C=CCC(C)CCCC)C1CC(=O)OC1=O
InChIInChI=1S/C19H32O3/c1-4-6-8-12-16(17-14-18(20)22-19(17)21)13-9-11-15(3)10-7-5-2/h9,13,15-17H,4-8,10-12,14H2,1-3H3
InChIKeyYAGOIGRJBJBRDN-UHFFFAOYSA-N
XLogP5.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.46
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-hept-1-en-3-yloxolane-2,5-dione;3-hex-1-en-3-yloxolane-2,5-dione
CID 157064477
9-(2,5-dioxooxolan-3-yl)octadec-10-enoic acid
CID 72559719
3-octadecan-2-yloxolane-2,5-dione
CID 86037827
3-[(E)-hept-4-en-3-yl]oxolane-2,5-dione
CID 22979801
3-octadecan-8-yloxolane-2,5-dione
CID 150546786
3-tridec-8-en-6-yloxolane-2,5-dione
CID 88684953
methane;3-(3-methylheptan-2-yl)oxolane-2,5-dione
CID 159205301
3-hexadecan-4-yloxolane-2,5-dione
CID 152596663
3-(11-methylpentadecyl)oxolane-2,5-dione
CID 90097452
3-(10-methylpentadecyl)oxolane-2,5-dione
CID 90097545
3-[(7E,9Z)-18-cyclopropyl-18-oxooctadeca-7,9-dien-6-yl]oxolane-2,5-dione
CID 176945760
3-[(7E,9Z)-18-cyclobutyl-18-oxooctadeca-7,9-dien-6-yl]oxolane-2,5-dione
CID 176945788

Frequently Asked Questions

What is the IUPAC name of 3-(10-methyltetradec-7-en-6-yl)oxolane-2,5-dione?
The IUPAC name of 3-(10-methyltetradec-7-en-6-yl)oxolane-2,5-dione (CID 134320042) is 3-(10-methyltetradec-7-en-6-yl)oxolane-2,5-dione.
What is the SMILES notation for 3-(10-methyltetradec-7-en-6-yl)oxolane-2,5-dione?
The canonical SMILES for 3-(10-methyltetradec-7-en-6-yl)oxolane-2,5-dione is CCCCCC(C=CCC(C)CCCC)C1CC(=O)OC1=O.
What is the InChIKey of 3-(10-methyltetradec-7-en-6-yl)oxolane-2,5-dione?
The InChIKey is YAGOIGRJBJBRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3/c1-4-6-8-12-16(17-14-18(20)22-19(17)21)13-9-11-15(3)10-7-5-2/h9,13,15-17H,4-8,10-12,14H2,1-3H3.
What are the key properties of 3-(10-methyltetradec-7-en-6-yl)oxolane-2,5-dione?
3-(10-methyltetradec-7-en-6-yl)oxolane-2,5-dione has a molecular weight of 308.46 g/mol, XLogP of 5.05, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-methyltetradec-7-en-6-yl)oxolane-2,5-dione is sourced from PubChem (CID 134320042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).