(Z,2E,5Z)-2,5-di(ethylidene)-7-methylnon-3-enal

C14H22O — CID 153339375

IUPAC(Z,2E,5Z)-2,5-di(ethylidene)-7-methylnon-3-enal
SMILESC/C=C(\C=C/C(C=O)=C\C)CC(C)CC
InChIInChI=1S/C14H22O/c1-5-12(4)10-13(6-2)8-9-14(7-3)11-15/h6-9,11-12H,5,10H2,1-4H3/b9-8-,13-6+,14-7+
InChIKeyWWNBDDHPWXQQDZ-TZDILNBQSA-N
MW206.33 g/mol
LogP4.07
Rot. Bonds6

About (Z,2E,5Z)-2,5-di(ethylidene)-7-methylnon-3-enal

(Z,2E,5Z)-2,5-di(ethylidene)-7-methylnon-3-enal (PubChem CID 153339375) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (Z,2E,5Z)-2,5-di(ethylidene)-7-methylnon-3-enal.

Molecular Properties

Compound Name(Z,2E,5Z)-2,5-di(ethylidene)-7-methylnon-3-enal
PubChem CID153339375
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(Z,2E,5Z)-2,5-di(ethylidene)-7-methylnon-3-enal
SMILESC/C=C(\C=C/C(C=O)=C\C)CC(C)CC
InChIInChI=1S/C14H22O/c1-5-12(4)10-13(6-2)8-9-14(7-3)11-15/h6-9,11-12H,5,10H2,1-4H3/b9-8-,13-6+,14-7+
InChIKeyWWNBDDHPWXQQDZ-TZDILNBQSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-5-methylhept-2-ene
CID 90962982
N-formyl-N,3-dimethylpentanamide
CID 142974327
(2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienal
CID 143311273
(5R)-5-methylheptan-3-one
CID 6566014
(E)-5-methyl-1-methylsulfanylhept-1-en-3-one
CID 163415693
5-ethylidene-3,7-dimethyldecane
CID 91539867
(3Z,5Z)-5-ethylidene-2,7-dimethylocta-1,3-diene
CID 143472729
(2E,4E)-4-ethylhexa-2,4-dienoic acid
CID 10942523
(E)-2-ethyl-4-methylpent-2-enal
CID 5463085
acetaldehyde;butan-2-ol;2-methylpropane
CID 174321366
(4Z,5Z)-4-ethylidene-2-methylocta-5,7-dienal
CID 143072769
(E)-2-tert-butyl-4-methylhex-1-en-1-amine
CID 130457051

Frequently Asked Questions

What is the IUPAC name of (Z,2E,5Z)-2,5-di(ethylidene)-7-methylnon-3-enal?
The IUPAC name of (Z,2E,5Z)-2,5-di(ethylidene)-7-methylnon-3-enal (CID 153339375) is (Z,2E,5Z)-2,5-di(ethylidene)-7-methylnon-3-enal.
What is the SMILES notation for (Z,2E,5Z)-2,5-di(ethylidene)-7-methylnon-3-enal?
The canonical SMILES for (Z,2E,5Z)-2,5-di(ethylidene)-7-methylnon-3-enal is C/C=C(\C=C/C(C=O)=C\C)CC(C)CC.
What is the InChIKey of (Z,2E,5Z)-2,5-di(ethylidene)-7-methylnon-3-enal?
The InChIKey is WWNBDDHPWXQQDZ-TZDILNBQSA-N. The full InChI is InChI=1S/C14H22O/c1-5-12(4)10-13(6-2)8-9-14(7-3)11-15/h6-9,11-12H,5,10H2,1-4H3/b9-8-,13-6+,14-7+.
What are the key properties of (Z,2E,5Z)-2,5-di(ethylidene)-7-methylnon-3-enal?
(Z,2E,5Z)-2,5-di(ethylidene)-7-methylnon-3-enal has a molecular weight of 206.33 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E,5Z)-2,5-di(ethylidene)-7-methylnon-3-enal is sourced from PubChem (CID 153339375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).