(E)-13-methyltetradec-2-enal

C15H28O — CID 11333582

IUPAC(E)-13-methyltetradec-2-enal
SMILESCC(C)CCCCCCCCC/C=C/C=O
InChIInChI=1S/C15H28O/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16/h10,12,14-15H,3-9,11,13H2,1-2H3/b12-10+
InChIKeyXCQVBFWYULNOQE-ZRDIBKRKSA-N
MW224.39 g/mol
LogP4.91
Rot. Bonds11

About (E)-13-methyltetradec-2-enal

(E)-13-methyltetradec-2-enal (PubChem CID 11333582) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is (E)-13-methyltetradec-2-enal.

Molecular Properties

Compound Name(E)-13-methyltetradec-2-enal
PubChem CID11333582
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name(E)-13-methyltetradec-2-enal
SMILESCC(C)CCCCCCCCC/C=C/C=O
InChIInChI=1S/C15H28O/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16/h10,12,14-15H,3-9,11,13H2,1-2H3/b12-10+
InChIKeyXCQVBFWYULNOQE-ZRDIBKRKSA-N
XLogP4.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.91
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'}

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Related Compounds

(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
22-methyltricosa-2,4-dienedial
CID 123901911
(Z)-2,16-dimethylheptadec-6-ene
CID 176630987
(E)-2,16-dimethylheptadec-6-ene
CID 176630989
(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene
CID 161032897
11-methyldodeca-1,3-diene
CID 154156925
(E)-2,13-dimethyltetradec-7-ene
CID 176630990
(2E,13Z,24E)-hexacosa-2,13,24-trienedial
CID 24786697
12-methyltridecanal
CID 146297718
22-methyltricosanal
CID 86049143
18-methylnonadecanal
CID 22123977

Frequently Asked Questions

What is the IUPAC name of (E)-13-methyltetradec-2-enal?
The IUPAC name of (E)-13-methyltetradec-2-enal (CID 11333582) is (E)-13-methyltetradec-2-enal.
What is the SMILES notation for (E)-13-methyltetradec-2-enal?
The canonical SMILES for (E)-13-methyltetradec-2-enal is CC(C)CCCCCCCCC/C=C/C=O.
What is the InChIKey of (E)-13-methyltetradec-2-enal?
The InChIKey is XCQVBFWYULNOQE-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H28O/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16/h10,12,14-15H,3-9,11,13H2,1-2H3/b12-10+.
What are the key properties of (E)-13-methyltetradec-2-enal?
(E)-13-methyltetradec-2-enal has a molecular weight of 224.39 g/mol, XLogP of 4.91, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-13-methyltetradec-2-enal is sourced from PubChem (CID 11333582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).