3-prop-1-enylundec-2-enal

C14H24O — CID 54027227

IUPAC3-prop-1-enylundec-2-enal
SMILESCC=CC(=CC=O)CCCCCCCC
InChIInChI=1S/C14H24O/c1-3-5-6-7-8-9-11-14(10-4-2)12-13-15/h4,10,12-13H,3,5-9,11H2,1-2H3
InChIKeyLDAXTLNALIMZKL-UHFFFAOYSA-N
MW208.35 g/mol
LogP4.44
Rot. Bonds9

About 3-prop-1-enylundec-2-enal

3-prop-1-enylundec-2-enal (PubChem CID 54027227) has the molecular formula C14H24O and a molecular weight of 208.35 g/mol. Its IUPAC name is 3-prop-1-enylundec-2-enal.

Molecular Properties

Compound Name3-prop-1-enylundec-2-enal
PubChem CID54027227
Molecular FormulaC14H24O
Molecular Weight208.35 g/mol
Exact Mass208.18
IUPAC Name3-prop-1-enylundec-2-enal
SMILESCC=CC(=CC=O)CCCCCCCC
InChIInChI=1S/C14H24O/c1-3-5-6-7-8-9-11-14(10-4-2)12-13-15/h4,10,12-13H,3,5-9,11H2,1-2H3
InChIKeyLDAXTLNALIMZKL-UHFFFAOYSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 54.44
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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Related Compounds

(E,4E)-4-ethylidenedodec-2-ene
CID 144930771
tridec-2-en-4-one
CID 3025768
(E)-undec-2-en-4-one
CID 11550066
undec-2-en-4-one
CID 54475106
(E,4Z)-4-(chloromethylidene)non-2-ene
CID 134863990
but-2-enoic acid;tetracosane
CID 159276528
ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene
CID 142022123
formic acid;henicosane-7,12-dione
CID 175044766
pentacosane-7,19-dione
CID 139254510
nonatriacontane-8,29-dione
CID 150237018
nonadecan-7-one
CID 12913434
pentadecan-8-one
CID 13162

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-enylundec-2-enal?
The IUPAC name of 3-prop-1-enylundec-2-enal (CID 54027227) is 3-prop-1-enylundec-2-enal.
What is the SMILES notation for 3-prop-1-enylundec-2-enal?
The canonical SMILES for 3-prop-1-enylundec-2-enal is CC=CC(=CC=O)CCCCCCCC.
What is the InChIKey of 3-prop-1-enylundec-2-enal?
The InChIKey is LDAXTLNALIMZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-3-5-6-7-8-9-11-14(10-4-2)12-13-15/h4,10,12-13H,3,5-9,11H2,1-2H3.
What are the key properties of 3-prop-1-enylundec-2-enal?
3-prop-1-enylundec-2-enal has a molecular weight of 208.35 g/mol, XLogP of 4.44, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-enylundec-2-enal is sourced from PubChem (CID 54027227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).