propan-2-yl (Z)-tetradec-9-enoate

C17H32O2 — CID 56936038

IUPACpropan-2-yl (Z)-tetradec-9-enoate
SMILESCCCC/C=C\CCCCCCCC(=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/h7-8,16H,4-6,9-15H2,1-3H3/b8-7-
InChIKeyHBDHXDBPCVDGQN-FPLPWBNLSA-N
MW268.44 g/mol
LogP5.42
Rot. Bonds12

About propan-2-yl (Z)-tetradec-9-enoate

propan-2-yl (Z)-tetradec-9-enoate (PubChem CID 56936038) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is propan-2-yl (Z)-tetradec-9-enoate.

Molecular Properties

Compound Namepropan-2-yl (Z)-tetradec-9-enoate
PubChem CID56936038
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Namepropan-2-yl (Z)-tetradec-9-enoate
SMILESCCCC/C=C\CCCCCCCC(=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/h7-8,16H,4-6,9-15H2,1-3H3/b8-7-
InChIKeyHBDHXDBPCVDGQN-FPLPWBNLSA-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'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (Z)-tetradec-9-enoate?
The IUPAC name of propan-2-yl (Z)-tetradec-9-enoate (CID 56936038) is propan-2-yl (Z)-tetradec-9-enoate.
What is the SMILES notation for propan-2-yl (Z)-tetradec-9-enoate?
The canonical SMILES for propan-2-yl (Z)-tetradec-9-enoate is CCCC/C=C\CCCCCCCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl (Z)-tetradec-9-enoate?
The InChIKey is HBDHXDBPCVDGQN-FPLPWBNLSA-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/h7-8,16H,4-6,9-15H2,1-3H3/b8-7-.
What are the key properties of propan-2-yl (Z)-tetradec-9-enoate?
propan-2-yl (Z)-tetradec-9-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-9-enoate is sourced from PubChem (CID 56936038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).