(Z)-9-ethyl-3,7-dimethyltridec-6-enal

C17H32O — CID 153352210

IUPAC(Z)-9-ethyl-3,7-dimethyltridec-6-enal
SMILESCCCCC(CC)C/C(C)=C\CCC(C)CC=O
InChIInChI=1S/C17H32O/c1-5-7-11-17(6-2)14-16(4)10-8-9-15(3)12-13-18/h10,13,15,17H,5-9,11-12,14H2,1-4H3/b16-10-
InChIKeyYHPLXUMUSUSVAY-YBEGLDIGSA-N
MW252.44 g/mol
LogP5.54
Rot. Bonds11

About (Z)-9-ethyl-3,7-dimethyltridec-6-enal

(Z)-9-ethyl-3,7-dimethyltridec-6-enal (PubChem CID 153352210) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is (Z)-9-ethyl-3,7-dimethyltridec-6-enal.

Molecular Properties

Compound Name(Z)-9-ethyl-3,7-dimethyltridec-6-enal
PubChem CID153352210
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name(Z)-9-ethyl-3,7-dimethyltridec-6-enal
SMILESCCCCC(CC)C/C(C)=C\CCC(C)CC=O
InChIInChI=1S/C17H32O/c1-5-7-11-17(6-2)14-16(4)10-8-9-15(3)12-13-18/h10,13,15,17H,5-9,11-12,14H2,1-4H3/b16-10-
InChIKeyYHPLXUMUSUSVAY-YBEGLDIGSA-N
XLogP5.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-methyl-3-pentyloct-6-enal
CID 21430179
(6Z)-3,7-dimethylundeca-6,10-dienal
CID 175255788
(3S)-3-methylhexanedial
CID 129384452
2-methylpropyl 5-ethyl-2-methylnon-2-enoate
CID 173363777
3-propylheptanal
CID 12639871
4-butyloctanal;titanium
CID 175088006
3-ethylhexanal
CID 15829179
(E,3R)-3-ethyl-7-methylnon-6-enoic acid
CID 87408150
3-ethyl-7-methylnon-6-enoic acid
CID 118483978
3-methylundec-7-enal
CID 54135562
3,7-dimethyloct-6-enal;3,7-dimethyloct-6-enenitrile
CID 174893210
ethane-1,2-diol;5-ethyl-2-methylnon-2-enoic acid
CID 173238030

Frequently Asked Questions

What is the IUPAC name of (Z)-9-ethyl-3,7-dimethyltridec-6-enal?
The IUPAC name of (Z)-9-ethyl-3,7-dimethyltridec-6-enal (CID 153352210) is (Z)-9-ethyl-3,7-dimethyltridec-6-enal.
What is the SMILES notation for (Z)-9-ethyl-3,7-dimethyltridec-6-enal?
The canonical SMILES for (Z)-9-ethyl-3,7-dimethyltridec-6-enal is CCCCC(CC)C/C(C)=C\CCC(C)CC=O.
What is the InChIKey of (Z)-9-ethyl-3,7-dimethyltridec-6-enal?
The InChIKey is YHPLXUMUSUSVAY-YBEGLDIGSA-N. The full InChI is InChI=1S/C17H32O/c1-5-7-11-17(6-2)14-16(4)10-8-9-15(3)12-13-18/h10,13,15,17H,5-9,11-12,14H2,1-4H3/b16-10-.
What are the key properties of (Z)-9-ethyl-3,7-dimethyltridec-6-enal?
(Z)-9-ethyl-3,7-dimethyltridec-6-enal has a molecular weight of 252.44 g/mol, XLogP of 5.54, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-9-ethyl-3,7-dimethyltridec-6-enal is sourced from PubChem (CID 153352210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).