(Z)-4-methylidenetetradec-2-enal

C15H26O — CID 131751102

IUPAC(Z)-4-methylidenetetradec-2-enal
SMILESC=C(/C=C\C=O)CCCCCCCCCC
InChIInChI=1S/C15H26O/c1-3-4-5-6-7-8-9-10-12-15(2)13-11-14-16/h11,13-14H,2-10,12H2,1H3/b13-11-
InChIKeySTNNDCBSPFQUIQ-QBFSEMIESA-N
MW222.37 g/mol
LogP4.83
Rot. Bonds11

About (Z)-4-methylidenetetradec-2-enal

(Z)-4-methylidenetetradec-2-enal (PubChem CID 131751102) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (Z)-4-methylidenetetradec-2-enal.

Molecular Properties

Compound Name(Z)-4-methylidenetetradec-2-enal
PubChem CID131751102
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(Z)-4-methylidenetetradec-2-enal
SMILESC=C(/C=C\C=O)CCCCCCCCCC
InChIInChI=1S/C15H26O/c1-3-4-5-6-7-8-9-10-12-15(2)13-11-14-16/h11,13-14H,2-10,12H2,1H3/b13-11-
InChIKeySTNNDCBSPFQUIQ-QBFSEMIESA-N
XLogP4.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-methylidenetetradec-2-enal?
The IUPAC name of (Z)-4-methylidenetetradec-2-enal (CID 131751102) is (Z)-4-methylidenetetradec-2-enal.
What is the SMILES notation for (Z)-4-methylidenetetradec-2-enal?
The canonical SMILES for (Z)-4-methylidenetetradec-2-enal is C=C(/C=C\C=O)CCCCCCCCCC.
What is the InChIKey of (Z)-4-methylidenetetradec-2-enal?
The InChIKey is STNNDCBSPFQUIQ-QBFSEMIESA-N. The full InChI is InChI=1S/C15H26O/c1-3-4-5-6-7-8-9-10-12-15(2)13-11-14-16/h11,13-14H,2-10,12H2,1H3/b13-11-.
What are the key properties of (Z)-4-methylidenetetradec-2-enal?
(Z)-4-methylidenetetradec-2-enal has a molecular weight of 222.37 g/mol, XLogP of 4.83, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methylidenetetradec-2-enal is sourced from PubChem (CID 131751102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).