propan-2-yl (Z)-tetradec-6-enoate

C17H32O2 — CID 139925977

IUPACpropan-2-yl (Z)-tetradec-6-enoate
SMILESCCCCCCC/C=C\CCCCC(=O)OC(C)C
InChIInChI=1S/C17H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h10-11,16H,4-9,12-15H2,1-3H3/b11-10-
InChIKeyKJFQMGTUISCISK-KHPPLWFESA-N
MW268.44 g/mol
LogP5.42
Rot. Bonds12

About propan-2-yl (Z)-tetradec-6-enoate

propan-2-yl (Z)-tetradec-6-enoate (PubChem CID 139925977) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is propan-2-yl (Z)-tetradec-6-enoate.

Molecular Properties

Compound Namepropan-2-yl (Z)-tetradec-6-enoate
PubChem CID139925977
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Namepropan-2-yl (Z)-tetradec-6-enoate
SMILESCCCCCCC/C=C\CCCCC(=O)OC(C)C
InChIInChI=1S/C17H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h10-11,16H,4-9,12-15H2,1-3H3/b11-10-
InChIKeyKJFQMGTUISCISK-KHPPLWFESA-N
XLogP5.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.42
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'}

Analyze propan-2-yl (Z)-tetradec-6-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl (Z)-dodec-6-enoate
CID 91750689
propan-2-yl (E)-dodec-5-enoate
CID 91750680
dodecan-1-ol;octadec-9-en-1-ol;octan-1-ol;propan-2-yl hexadecanoate
CID 173235409
propan-2-yl (E)-dodec-4-enoate
CID 91750679
propan-2-yl undecanoate
CID 3016538
dodecan-1-ol;heptane;octadec-9-enoic acid;octan-1-ol;propan-2-yl hexadecanoate
CID 173216197
propan-2-yl dodecanoate;titanium(2+)
CID 18314327
butan-2-yl (Z)-octadec-9-enoate
CID 12739678
3-methylbutan-2-yl (Z)-octadec-9-enoate
CID 58096461
2-[(Z)-icos-11-enoyl]oxypropanoic acid
CID 138300369
1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl (9Z,12Z)-octadeca-9,12-dienoate
CID 141440294
1-propan-2-yloxypropyl (Z)-octadec-9-enoate
CID 87553382

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (Z)-tetradec-6-enoate?
The IUPAC name of propan-2-yl (Z)-tetradec-6-enoate (CID 139925977) is propan-2-yl (Z)-tetradec-6-enoate.
What is the SMILES notation for propan-2-yl (Z)-tetradec-6-enoate?
The canonical SMILES for propan-2-yl (Z)-tetradec-6-enoate is CCCCCCC/C=C\CCCCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl (Z)-tetradec-6-enoate?
The InChIKey is KJFQMGTUISCISK-KHPPLWFESA-N. The full InChI is InChI=1S/C17H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h10-11,16H,4-9,12-15H2,1-3H3/b11-10-.
What are the key properties of propan-2-yl (Z)-tetradec-6-enoate?
propan-2-yl (Z)-tetradec-6-enoate has a molecular weight of 268.44 g/mol, XLogP of 5.42, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (Z)-tetradec-6-enoate is sourced from PubChem (CID 139925977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).