2-[(10R)-10-methylheptadec-16-enoxy]oxane

C23H44O2 — CID 135072499

IUPAC2-[(10R)-10-methylheptadec-16-enoxy]oxane
SMILESC=CCCCCC[C@H](C)CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C23H44O2/c1-3-4-5-9-12-17-22(2)18-13-10-7-6-8-11-15-20-24-23-19-14-16-21-25-23/h3,22-23H,1,4-21H2,2H3/t22-,23?/m0/s1
InChIKeyQJDPCEOZDSRYDS-NQCNTLBGSA-N
MW352.60 g/mol
LogP7.42
Rot. Bonds17

About 2-[(10R)-10-methylheptadec-16-enoxy]oxane

2-[(10R)-10-methylheptadec-16-enoxy]oxane (PubChem CID 135072499) has the molecular formula C23H44O2 and a molecular weight of 352.60 g/mol. Its IUPAC name is 2-[(10R)-10-methylheptadec-16-enoxy]oxane.

Molecular Properties

Compound Name2-[(10R)-10-methylheptadec-16-enoxy]oxane
PubChem CID135072499
Molecular FormulaC23H44O2
Molecular Weight352.60 g/mol
Exact Mass352.33
IUPAC Name2-[(10R)-10-methylheptadec-16-enoxy]oxane
SMILESC=CCCCCC[C@H](C)CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C23H44O2/c1-3-4-5-9-12-17-22(2)18-13-10-7-6-8-11-15-20-24-23-19-14-16-21-25-23/h3,22-23H,1,4-21H2,2H3/t22-,23?/m0/s1
InChIKeyQJDPCEOZDSRYDS-NQCNTLBGSA-N
XLogP7.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.60
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(10R)-10-methylheptadec-16-enoxy]oxane?
The IUPAC name of 2-[(10R)-10-methylheptadec-16-enoxy]oxane (CID 135072499) is 2-[(10R)-10-methylheptadec-16-enoxy]oxane.
What is the SMILES notation for 2-[(10R)-10-methylheptadec-16-enoxy]oxane?
The canonical SMILES for 2-[(10R)-10-methylheptadec-16-enoxy]oxane is C=CCCCCC[C@H](C)CCCCCCCCCOC1CCCCO1.
What is the InChIKey of 2-[(10R)-10-methylheptadec-16-enoxy]oxane?
The InChIKey is QJDPCEOZDSRYDS-NQCNTLBGSA-N. The full InChI is InChI=1S/C23H44O2/c1-3-4-5-9-12-17-22(2)18-13-10-7-6-8-11-15-20-24-23-19-14-16-21-25-23/h3,22-23H,1,4-21H2,2H3/t22-,23?/m0/s1.
What are the key properties of 2-[(10R)-10-methylheptadec-16-enoxy]oxane?
2-[(10R)-10-methylheptadec-16-enoxy]oxane has a molecular weight of 352.60 g/mol, XLogP of 7.42, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(10R)-10-methylheptadec-16-enoxy]oxane is sourced from PubChem (CID 135072499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).