(10Z)-15-ethyl-1-oxacyclopentadec-10-en-2-one;(10Z)-16-methyl-1-oxacyclohexadec-10-en-2-one;(10Z)-14-propyl-1-oxacyclotetradec-10-en-2-one

C48H84O6 — CID 167704086

IUPAC(10Z)-15-ethyl-1-oxacyclopentadec-10-en-2-one;(10Z)-16-methyl-1-oxacyclohexadec-10-en-2-one;(10Z)-14-propyl-1-oxacyclotetradec-10-en-2-one
SMILESCC1CCCC/C=C\CCCCCCCC(=O)O1.CCC1CCC/C=C\CCCCCCCC(=O)O1.CCCC1CC/C=C\CCCCCCCC(=O)O1
InChIInChI=1S/3C16H28O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(17)18-15;1-2-15-13-11-9-7-5-3-4-6-8-10-12-14-16(17)18-15;1-2-12-15-13-10-8-6-4-3-5-7-9-11-14-16(17)18-15/h3,5,15H,2,4,6-14H2,1H3;5,7,15H,2-4,6,8-14H2,1H3;6,8,15H,2-5,7,9-14H2,1H3/b5-3-;7-5-;8-6-
InChIKeyYVLRMFRJNUXZQR-HMABRVPWSA-N
MW757.19 g/mol
LogP14.34
Rot. Bonds3

About (10Z)-15-ethyl-1-oxacyclopentadec-10-en-2-one;(10Z)-16-methyl-1-oxacyclohexadec-10-en-2-one;(10Z)-14-propyl-1-oxacyclotetradec-10-en-2-one

(10Z)-15-ethyl-1-oxacyclopentadec-10-en-2-one;(10Z)-16-methyl-1-oxacyclohexadec-10-en-2-one;(10Z)-14-propyl-1-oxacyclotetradec-10-en-2-one (PubChem CID 167704086) has the molecular formula C48H84O6 and a molecular weight of 757.19 g/mol. Its IUPAC name is (10Z)-15-ethyl-1-oxacyclopentadec-10-en-2-one;(10Z)-16-methyl-1-oxacyclohexadec-10-en-2-one;(10Z)-14-propyl-1-oxacyclotetradec-10-en-2-one.

Molecular Properties

Compound Name(10Z)-15-ethyl-1-oxacyclopentadec-10-en-2-one;(10Z)-16-methyl-1-oxacyclohexadec-10-en-2-one;(10Z)-14-propyl-1-oxacyclotetradec-10-en-2-one
PubChem CID167704086
Molecular FormulaC48H84O6
Molecular Weight757.19 g/mol
Exact Mass756.63
IUPAC Name(10Z)-15-ethyl-1-oxacyclopentadec-10-en-2-one;(10Z)-16-methyl-1-oxacyclohexadec-10-en-2-one;(10Z)-14-propyl-1-oxacyclotetradec-10-en-2-one
SMILESCC1CCCC/C=C\CCCCCCCC(=O)O1.CCC1CCC/C=C\CCCCCCCC(=O)O1.CCCC1CC/C=C\CCCCCCCC(=O)O1
InChIInChI=1S/3C16H28O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(17)18-15;1-2-15-13-11-9-7-5-3-4-6-8-10-12-14-16(17)18-15;1-2-12-15-13-10-8-6-4-3-5-7-9-11-14-16(17)18-15/h3,5,15H,2,4,6-14H2,1H3;5,7,15H,2-4,6,8-14H2,1H3;6,8,15H,2-5,7,9-14H2,1H3/b5-3-;7-5-;8-6-
InChIKeyYVLRMFRJNUXZQR-HMABRVPWSA-N
XLogP14.34
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.19
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (10Z)-15-ethyl-1-oxacyclopentadec-10-en-2-one;(10Z)-16-methyl-1-oxacyclohexadec-10-en-2-one;(10Z)-14-propyl-1-oxacyclotetradec-10-en-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10Z)-15-ethyl-1-oxacyclopentadec-10-en-2-one;(10Z)-16-methyl-1-oxacyclohexadec-10-en-2-one;(10Z)-14-propyl-1-oxacyclotetradec-10-en-2-one?
The IUPAC name of (10Z)-15-ethyl-1-oxacyclopentadec-10-en-2-one;(10Z)-16-methyl-1-oxacyclohexadec-10-en-2-one;(10Z)-14-propyl-1-oxacyclotetradec-10-en-2-one (CID 167704086) is (10Z)-15-ethyl-1-oxacyclopentadec-10-en-2-one;(10Z)-16-methyl-1-oxacyclohexadec-10-en-2-one;(10Z)-14-propyl-1-oxacyclotetradec-10-en-2-one.
What is the SMILES notation for (10Z)-15-ethyl-1-oxacyclopentadec-10-en-2-one;(10Z)-16-methyl-1-oxacyclohexadec-10-en-2-one;(10Z)-14-propyl-1-oxacyclotetradec-10-en-2-one?
The canonical SMILES for (10Z)-15-ethyl-1-oxacyclopentadec-10-en-2-one;(10Z)-16-methyl-1-oxacyclohexadec-10-en-2-one;(10Z)-14-propyl-1-oxacyclotetradec-10-en-2-one is CC1CCCC/C=C\CCCCCCCC(=O)O1.CCC1CCC/C=C\CCCCCCCC(=O)O1.CCCC1CC/C=C\CCCCCCCC(=O)O1.
What is the InChIKey of (10Z)-15-ethyl-1-oxacyclopentadec-10-en-2-one;(10Z)-16-methyl-1-oxacyclohexadec-10-en-2-one;(10Z)-14-propyl-1-oxacyclotetradec-10-en-2-one?
The InChIKey is YVLRMFRJNUXZQR-HMABRVPWSA-N. The full InChI is InChI=1S/3C16H28O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(17)18-15;1-2-15-13-11-9-7-5-3-4-6-8-10-12-14-16(17)18-15;1-2-12-15-13-10-8-6-4-3-5-7-9-11-14-16(17)18-15/h3,5,15H,2,4,6-14H2,1H3;5,7,15H,2-4,6,8-14H2,1H3;6,8,15H,2-5,7,9-14H2,1H3/b5-3-;7-5-;8-6-.
What are the key properties of (10Z)-15-ethyl-1-oxacyclopentadec-10-en-2-one;(10Z)-16-methyl-1-oxacyclohexadec-10-en-2-one;(10Z)-14-propyl-1-oxacyclotetradec-10-en-2-one?
(10Z)-15-ethyl-1-oxacyclopentadec-10-en-2-one;(10Z)-16-methyl-1-oxacyclohexadec-10-en-2-one;(10Z)-14-propyl-1-oxacyclotetradec-10-en-2-one has a molecular weight of 757.19 g/mol, XLogP of 14.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-15-ethyl-1-oxacyclopentadec-10-en-2-one;(10Z)-16-methyl-1-oxacyclohexadec-10-en-2-one;(10Z)-14-propyl-1-oxacyclotetradec-10-en-2-one is sourced from PubChem (CID 167704086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).