tetradecan-6-yl propanoate

C17H34O2 — CID 15483723

IUPACtetradecan-6-yl propanoate
SMILESCCCCCCCCC(CCCCC)OC(=O)CC
InChIInChI=1S/C17H34O2/c1-4-7-9-10-11-13-15-16(14-12-8-5-2)19-17(18)6-3/h16H,4-15H2,1-3H3
InChIKeyDVYCMBRKAVZXFL-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.64
Rot. Bonds13

About tetradecan-6-yl propanoate

tetradecan-6-yl propanoate (PubChem CID 15483723) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is tetradecan-6-yl propanoate.

Molecular Properties

Compound Nametetradecan-6-yl propanoate
PubChem CID15483723
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Nametetradecan-6-yl propanoate
SMILESCCCCCCCCC(CCCCC)OC(=O)CC
InChIInChI=1S/C17H34O2/c1-4-7-9-10-11-13-15-16(14-12-8-5-2)19-17(18)6-3/h16H,4-15H2,1-3H3
InChIKeyDVYCMBRKAVZXFL-UHFFFAOYSA-N
XLogP5.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octadecan-7-yl propanoate
CID 87732278
icosan-10-yl decanoate
CID 152733830
undecan-6-yl octadecanoate
CID 164901581
octacosan-10-yl octadecanoate
CID 158256200
icosan-8-yl dodecanoate
CID 175390267
pentadecan-8-yl butanoate
CID 164875629
heptadecan-9-yl hexanoate
CID 163299458
1-propanoyloxyoctadecyl propanoate
CID 154386000
undecan-5-yl hexanoate
CID 89466850
dodecan-5-yl nonanoate
CID 86190865
10-[10,13-di(propanoyloxy)octadecanoyloxy]decyl 9,12-di(propanoyloxy)octadecanoate
CID 166581988
heptadecan-9-yl 3-hydroxypropanoate
CID 172555387

Frequently Asked Questions

What is the IUPAC name of tetradecan-6-yl propanoate?
The IUPAC name of tetradecan-6-yl propanoate (CID 15483723) is tetradecan-6-yl propanoate.
What is the SMILES notation for tetradecan-6-yl propanoate?
The canonical SMILES for tetradecan-6-yl propanoate is CCCCCCCCC(CCCCC)OC(=O)CC.
What is the InChIKey of tetradecan-6-yl propanoate?
The InChIKey is DVYCMBRKAVZXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-4-7-9-10-11-13-15-16(14-12-8-5-2)19-17(18)6-3/h16H,4-15H2,1-3H3.
What are the key properties of tetradecan-6-yl propanoate?
tetradecan-6-yl propanoate has a molecular weight of 270.46 g/mol, XLogP of 5.64, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecan-6-yl propanoate is sourced from PubChem (CID 15483723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).