(4Z,5Z)-4-ethylidene-2-methylocta-5,7-dienal

C11H16O — CID 143072769

IUPAC(4Z,5Z)-4-ethylidene-2-methylocta-5,7-dienal
SMILESC=C/C=C\C(=C/C)CC(C)C=O
InChIInChI=1S/C11H16O/c1-4-6-7-11(5-2)8-10(3)9-12/h4-7,9-10H,1,8H2,2-3H3/b7-6-,11-5+
InChIKeyVVRYQCAXPRJJOG-TUKAJDRUSA-N
MW164.25 g/mol
LogP2.90
Rot. Bonds5

About (4Z,5Z)-4-ethylidene-2-methylocta-5,7-dienal

(4Z,5Z)-4-ethylidene-2-methylocta-5,7-dienal (PubChem CID 143072769) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (4Z,5Z)-4-ethylidene-2-methylocta-5,7-dienal.

Molecular Properties

Compound Name(4Z,5Z)-4-ethylidene-2-methylocta-5,7-dienal
PubChem CID143072769
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(4Z,5Z)-4-ethylidene-2-methylocta-5,7-dienal
SMILESC=C/C=C\C(=C/C)CC(C)C=O
InChIInChI=1S/C11H16O/c1-4-6-7-11(5-2)8-10(3)9-12/h4-7,9-10H,1,8H2,2-3H3/b7-6-,11-5+
InChIKeyVVRYQCAXPRJJOG-TUKAJDRUSA-N
XLogP2.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,4Z,5Z)-2-amino-4-ethylideneocta-5,7-dienoic acid
CID 146649344
ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene
CID 145142585
(3Z,5Z)-5-ethylhepta-1,3,5-triene;methane
CID 143680457
3-ethylidenehepta-4,6-dienoic acid
CID 90984138
(2E,3Z)-2-ethylidene-N-methyl-N-(3-methylbut-1-en-2-yl)hexa-3,5-dien-1-amine
CID 138539271
(2R)-2-methylpent-4-enal;(2S)-2-methylpent-4-enal
CID 159356826
ethane;(4Z,5Z)-4-ethylidene-2-oxoocta-5,7-dienoic acid
CID 143265968
(4Z,5Z)-4-ethylideneocta-5,7-dien-1-ol
CID 89317251
2-(2,4-diaminocyclobutyl)-1-[(4Z,5Z)-4-ethylideneocta-5,7-dien-2-yl]guanidine
CID 163812149
(3Z,5Z)-5-ethylhepta-1,3,5-triene;2-methylbuta-1,3-diene
CID 162361818
7-methyl-5-methylideneocta-1,3-diene
CID 123347446
ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
CID 144723819

Frequently Asked Questions

What is the IUPAC name of (4Z,5Z)-4-ethylidene-2-methylocta-5,7-dienal?
The IUPAC name of (4Z,5Z)-4-ethylidene-2-methylocta-5,7-dienal (CID 143072769) is (4Z,5Z)-4-ethylidene-2-methylocta-5,7-dienal.
What is the SMILES notation for (4Z,5Z)-4-ethylidene-2-methylocta-5,7-dienal?
The canonical SMILES for (4Z,5Z)-4-ethylidene-2-methylocta-5,7-dienal is C=C/C=C\C(=C/C)CC(C)C=O.
What is the InChIKey of (4Z,5Z)-4-ethylidene-2-methylocta-5,7-dienal?
The InChIKey is VVRYQCAXPRJJOG-TUKAJDRUSA-N. The full InChI is InChI=1S/C11H16O/c1-4-6-7-11(5-2)8-10(3)9-12/h4-7,9-10H,1,8H2,2-3H3/b7-6-,11-5+.
What are the key properties of (4Z,5Z)-4-ethylidene-2-methylocta-5,7-dienal?
(4Z,5Z)-4-ethylidene-2-methylocta-5,7-dienal has a molecular weight of 164.25 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5Z)-4-ethylidene-2-methylocta-5,7-dienal is sourced from PubChem (CID 143072769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).