oxan-3-ylmethyl dec-9-enoate

C16H28O3 — CID 166684092

IUPACoxan-3-ylmethyl dec-9-enoate
SMILESC=CCCCCCCCC(=O)OCC1CCCOC1
InChIInChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-11-16(17)19-14-15-10-9-12-18-13-15/h2,15H,1,3-14H2
InChIKeyNWTBEKGIPNNBKD-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.87
Rot. Bonds10

About oxan-3-ylmethyl dec-9-enoate

oxan-3-ylmethyl dec-9-enoate (PubChem CID 166684092) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is oxan-3-ylmethyl dec-9-enoate.

Molecular Properties

Compound Nameoxan-3-ylmethyl dec-9-enoate
PubChem CID166684092
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Nameoxan-3-ylmethyl dec-9-enoate
SMILESC=CCCCCCCCC(=O)OCC1CCCOC1
InChIInChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-11-16(17)19-14-15-10-9-12-18-13-15/h2,15H,1,3-14H2
InChIKeyNWTBEKGIPNNBKD-UHFFFAOYSA-N
XLogP3.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

oxolan-3-ylmethyl (Z)-octadec-9-enoate
CID 21160037
1-(oxolan-3-yl)oct-7-en-1-one
CID 107008260
2-dec-9-enoyloxyethyl dec-9-enoate
CID 153465043
oxan-4-ylmethyl (Z)-octadec-9-enoate
CID 146268302
undec-10-enyl 7-undec-10-enoxyheptanoate
CID 140771622
cyclobutylmethyl octanoate
CID 176885511
but-3-enyl hept-6-enoate
CID 86101121
bis(pent-4-enyl) decanedioate
CID 91694638
2-hydroxyethyl dec-9-enoate
CID 87084822
bis[[4-(prop-2-enoxymethyl)cyclohexyl]methyl] pentanedioate
CID 101035077
cycloheptylmethyl tridecanoate
CID 54548120
3-trimethylsilyloxypropyl undec-10-enoate
CID 91749273

Frequently Asked Questions

What is the IUPAC name of oxan-3-ylmethyl dec-9-enoate?
The IUPAC name of oxan-3-ylmethyl dec-9-enoate (CID 166684092) is oxan-3-ylmethyl dec-9-enoate.
What is the SMILES notation for oxan-3-ylmethyl dec-9-enoate?
The canonical SMILES for oxan-3-ylmethyl dec-9-enoate is C=CCCCCCCCC(=O)OCC1CCCOC1.
What is the InChIKey of oxan-3-ylmethyl dec-9-enoate?
The InChIKey is NWTBEKGIPNNBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-11-16(17)19-14-15-10-9-12-18-13-15/h2,15H,1,3-14H2.
What are the key properties of oxan-3-ylmethyl dec-9-enoate?
oxan-3-ylmethyl dec-9-enoate has a molecular weight of 268.40 g/mol, XLogP of 3.87, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-ylmethyl dec-9-enoate is sourced from PubChem (CID 166684092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).