acetaldehyde;(3Z,7Z,11Z)-12-but-1-en-2-yl-2-methoxy-8,14-dimethyl-5,6,9,10-tetramethylidenepentadeca-1,3,7,11,14-pentaene;ethane

C30H44O2 — CID 145122124

IUPACacetaldehyde;(3Z,7Z,11Z)-12-but-1-en-2-yl-2-methoxy-8,14-dimethyl-5,6,9,10-tetramethylidenepentadeca-1,3,7,11,14-pentaene;ethane
SMILESC=C(C)C/C(=C/C(=C)C(=C)/C(C)=C/C(=C)C(=C)/C=C\C(=C)OC)C(=C)CC.CC.CC=O
InChIInChI=1S/C26H34O.C2H4O.C2H6/c1-12-19(4)26(15-18(2)3)17-23(8)25(10)22(7)16-21(6)20(5)13-14-24(9)27-11;1-2-3;1-2/h13-14,16-17H,2,4-6,8-10,12,15H2,1,3,7,11H3;2H,1H3;1-2H3/b14-13-,22-16-,26-17-;;
InChIKeyUMHHETDTWPTGNB-OADKHALJSA-N
MW436.68 g/mol
LogP8.96
Rot. Bonds12

About acetaldehyde;(3Z,7Z,11Z)-12-but-1-en-2-yl-2-methoxy-8,14-dimethyl-5,6,9,10-tetramethylidenepentadeca-1,3,7,11,14-pentaene;ethane

acetaldehyde;(3Z,7Z,11Z)-12-but-1-en-2-yl-2-methoxy-8,14-dimethyl-5,6,9,10-tetramethylidenepentadeca-1,3,7,11,14-pentaene;ethane (PubChem CID 145122124) has the molecular formula C30H44O2 and a molecular weight of 436.68 g/mol. Its IUPAC name is acetaldehyde;(3Z,7Z,11Z)-12-but-1-en-2-yl-2-methoxy-8,14-dimethyl-5,6,9,10-tetramethylidenepentadeca-1,3,7,11,14-pentaene;ethane.

Molecular Properties

Compound Nameacetaldehyde;(3Z,7Z,11Z)-12-but-1-en-2-yl-2-methoxy-8,14-dimethyl-5,6,9,10-tetramethylidenepentadeca-1,3,7,11,14-pentaene;ethane
PubChem CID145122124
Molecular FormulaC30H44O2
Molecular Weight436.68 g/mol
Exact Mass436.33
IUPAC Nameacetaldehyde;(3Z,7Z,11Z)-12-but-1-en-2-yl-2-methoxy-8,14-dimethyl-5,6,9,10-tetramethylidenepentadeca-1,3,7,11,14-pentaene;ethane
SMILESC=C(C)C/C(=C/C(=C)C(=C)/C(C)=C/C(=C)C(=C)/C=C\C(=C)OC)C(=C)CC.CC.CC=O
InChIInChI=1S/C26H34O.C2H4O.C2H6/c1-12-19(4)26(15-18(2)3)17-23(8)25(10)22(7)16-21(6)20(5)13-14-24(9)27-11;1-2-3;1-2/h13-14,16-17H,2,4-6,8-10,12,15H2,1,3,7,11H3;2H,1H3;1-2H3/b14-13-,22-16-,26-17-;;
InChIKeyUMHHETDTWPTGNB-OADKHALJSA-N
XLogP8.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.68
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze acetaldehyde;(3Z,7Z,11Z)-12-but-1-en-2-yl-2-methoxy-8,14-dimethyl-5,6,9,10-tetramethylidenepentadeca-1,3,7,11,14-pentaene;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-butyl-3-hept-5-enyl-5-methyl-4-propyl-2H-oxepin-7-ylidene)methanone
CID 123791375
acetaldehyde;ethane;(3E,5Z)-4-methoxy-5-methylhepta-1,3,5-triene;prop-1-ene
CID 142062098
(3Z,7Z,11Z)-2-methoxy-4,7-dimethyl-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;propane
CID 142281551
(3Z,7Z,11Z)-7-ethyl-2-methoxy-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;propane
CID 142281756
(3E,5E)-5-[(2E,4Z)-2,5-dimethyl-6-methylideneocta-2,4-dienoxy]-4-methoxyocta-3,5,7-trienal
CID 143384193
4-[(2E,4Z)-2-ethyl-5-prop-1-en-2-ylocta-2,4-dienoxy]cyclohepta-2,4,6-triene-1-carbaldehyde
CID 143859011
acetaldehyde;ethene;(3Z,7E)-2-methoxy-7-(methoxymethyl)-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene
CID 145122105
acetaldehyde;(3Z,7E)-8-(2-methoxyethoxy)-2,4-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene
CID 145122126
ethane;(3Z,7Z)-7-ethyl-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-2-enal
CID 145122176
acetaldehyde;(3Z,7Z,11E)-8-ethyl-12-(2-methoxyethoxy)-2-methyl-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;prop-1-ene
CID 145122212
acetaldehyde;(3Z,7Z,11Z)-2-methoxy-4-(3-methoxypropyl)-7,10,13-trimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene;prop-1-ene
CID 145122433
acetaldehyde;(3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-1-ene
CID 145122775

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;(3Z,7Z,11Z)-12-but-1-en-2-yl-2-methoxy-8,14-dimethyl-5,6,9,10-tetramethylidenepentadeca-1,3,7,11,14-pentaene;ethane?
The IUPAC name of acetaldehyde;(3Z,7Z,11Z)-12-but-1-en-2-yl-2-methoxy-8,14-dimethyl-5,6,9,10-tetramethylidenepentadeca-1,3,7,11,14-pentaene;ethane (CID 145122124) is acetaldehyde;(3Z,7Z,11Z)-12-but-1-en-2-yl-2-methoxy-8,14-dimethyl-5,6,9,10-tetramethylidenepentadeca-1,3,7,11,14-pentaene;ethane.
What is the SMILES notation for acetaldehyde;(3Z,7Z,11Z)-12-but-1-en-2-yl-2-methoxy-8,14-dimethyl-5,6,9,10-tetramethylidenepentadeca-1,3,7,11,14-pentaene;ethane?
The canonical SMILES for acetaldehyde;(3Z,7Z,11Z)-12-but-1-en-2-yl-2-methoxy-8,14-dimethyl-5,6,9,10-tetramethylidenepentadeca-1,3,7,11,14-pentaene;ethane is C=C(C)C/C(=C/C(=C)C(=C)/C(C)=C/C(=C)C(=C)/C=C\C(=C)OC)C(=C)CC.CC.CC=O.
What is the InChIKey of acetaldehyde;(3Z,7Z,11Z)-12-but-1-en-2-yl-2-methoxy-8,14-dimethyl-5,6,9,10-tetramethylidenepentadeca-1,3,7,11,14-pentaene;ethane?
The InChIKey is UMHHETDTWPTGNB-OADKHALJSA-N. The full InChI is InChI=1S/C26H34O.C2H4O.C2H6/c1-12-19(4)26(15-18(2)3)17-23(8)25(10)22(7)16-21(6)20(5)13-14-24(9)27-11;1-2-3;1-2/h13-14,16-17H,2,4-6,8-10,12,15H2,1,3,7,11H3;2H,1H3;1-2H3/b14-13-,22-16-,26-17-;;.
What are the key properties of acetaldehyde;(3Z,7Z,11Z)-12-but-1-en-2-yl-2-methoxy-8,14-dimethyl-5,6,9,10-tetramethylidenepentadeca-1,3,7,11,14-pentaene;ethane?
acetaldehyde;(3Z,7Z,11Z)-12-but-1-en-2-yl-2-methoxy-8,14-dimethyl-5,6,9,10-tetramethylidenepentadeca-1,3,7,11,14-pentaene;ethane has a molecular weight of 436.68 g/mol, XLogP of 8.96, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;(3Z,7Z,11Z)-12-but-1-en-2-yl-2-methoxy-8,14-dimethyl-5,6,9,10-tetramethylidenepentadeca-1,3,7,11,14-pentaene;ethane is sourced from PubChem (CID 145122124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).