ethane;(3Z,7Z)-7-ethyl-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-2-enal

C24H38O3 — CID 145122176

IUPACethane;(3Z,7Z)-7-ethyl-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-2-enal
SMILESC=C(C)/C=C(/CC)C(=C)C(=C)/C=C(\CCOC)C(=C)OC.C=CC=O.CC
InChIInChI=1S/C19H28O2.C3H4O.C2H6/c1-9-18(12-14(2)3)16(5)15(4)13-19(10-11-20-7)17(6)21-8;1-2-3-4;1-2/h12-13H,2,4-6,9-11H2,1,3,7-8H3;2-3H,1H2;1-2H3/b18-12-,19-13-;;
InChIKeyZKTWVEOKUUCXKZ-WGNCTNBJSA-N
MW374.57 g/mol
LogP6.53
Rot. Bonds11

About ethane;(3Z,7Z)-7-ethyl-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-2-enal

ethane;(3Z,7Z)-7-ethyl-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-2-enal (PubChem CID 145122176) has the molecular formula C24H38O3 and a molecular weight of 374.57 g/mol. Its IUPAC name is ethane;(3Z,7Z)-7-ethyl-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-2-enal.

Molecular Properties

Compound Nameethane;(3Z,7Z)-7-ethyl-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-2-enal
PubChem CID145122176
Molecular FormulaC24H38O3
Molecular Weight374.57 g/mol
Exact Mass374.28
IUPAC Nameethane;(3Z,7Z)-7-ethyl-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-2-enal
SMILESC=C(C)/C=C(/CC)C(=C)C(=C)/C=C(\CCOC)C(=C)OC.C=CC=O.CC
InChIInChI=1S/C19H28O2.C3H4O.C2H6/c1-9-18(12-14(2)3)16(5)15(4)13-19(10-11-20-7)17(6)21-8;1-2-3-4;1-2/h12-13H,2,4-6,9-11H2,1,3,7-8H3;2-3H,1H2;1-2H3/b18-12-,19-13-;;
InChIKeyZKTWVEOKUUCXKZ-WGNCTNBJSA-N
XLogP6.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

(2E,6E,8E,10E,14E)-5,12-dimethoxy-2,6,11,15-tetramethylhexadeca-2,6,8,10,14-pentaenedial
CID 88211379
(3Z,7Z)-9-methoxy-2,5,6-trimethylidenedeca-3,7,9-trienal
CID 143285521
ethane;(3Z,7Z,11Z)-2-methoxy-7-(2-methoxyethyl)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7,11-tetraene;prop-2-enal
CID 145122097
acetaldehyde;ethene;(3Z,7E)-2-methoxy-7-(methoxymethyl)-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene
CID 145122105
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
formaldehyde;(3Z,7Z)-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;2-methylprop-1-ene
CID 145122161
(3E,7E,11Z)-7-fluoro-2-methoxy-4-(methoxymethyl)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene;prop-2-enal
CID 145122181
(3E,7E)-7-fluoro-2-methoxy-4-(methoxymethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;2-methylprop-2-enal
CID 145122260
(3Z,7Z,11Z)-7-ethyl-2-methoxy-3-(2-methoxyethyl)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene;2-methylprop-2-enal
CID 145122268
ethane;(3Z,7Z)-2-methoxy-7-(2-methoxyethyl)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;prop-2-enal
CID 145122327
(3Z)-2-methoxy-3-(2-methoxyethyl)hexa-1,3,5-triene;2-methylprop-2-enal
CID 145122476
(3Z,7E)-2-ethoxy-4-ethyl-8-(2-methoxyethoxy)-5,6,9-trimethylideneundeca-1,3,7-triene;prop-2-enal
CID 145122493

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,7Z)-7-ethyl-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-2-enal?
The IUPAC name of 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) is ethane;(3Z,7Z)-7-ethyl-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-2-enal.
What is the SMILES notation for ethane;(3Z,7Z)-7-ethyl-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-2-enal?
The canonical SMILES for ethane;(3Z,7Z)-7-ethyl-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-2-enal is C=C(C)/C=C(/CC)C(=C)C(=C)/C=C(\CCOC)C(=C)OC.C=CC=O.CC.
What is the InChIKey of ethane;(3Z,7Z)-7-ethyl-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-2-enal?
The InChIKey is ZKTWVEOKUUCXKZ-WGNCTNBJSA-N. The full InChI is InChI=1S/C19H28O2.C3H4O.C2H6/c1-9-18(12-14(2)3)16(5)15(4)13-19(10-11-20-7)17(6)21-8;1-2-3-4;1-2/h12-13H,2,4-6,9-11H2,1,3,7-8H3;2-3H,1H2;1-2H3/b18-12-,19-13-;;.
What are the key properties of ethane;(3Z,7Z)-7-ethyl-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-2-enal?
ethane;(3Z,7Z)-7-ethyl-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-2-enal has a molecular weight of 374.57 g/mol, XLogP of 6.53, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,7Z)-7-ethyl-2-methoxy-3-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;prop-2-enal is sourced from PubChem (CID 145122176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).