ethene;(4Z,8E)-8-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8-diene;prop-2-enal

C29H46O2 — CID 145122911

IUPACethene;(4Z,8E)-8-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8-diene;prop-2-enal
SMILESC=C.C=C(/C=C\C(=C)C(=C)/C(=C\C(=C)C(C)CCC(C)CC)COC)CC.C=CC=O
InChIInChI=1S/C24H38O.C3H4O.C2H4/c1-10-18(3)12-14-20(5)22(7)16-24(17-25-9)23(8)21(6)15-13-19(4)11-2;1-2-3-4;1-2/h13,15-16,18,20H,4,6-8,10-12,14,17H2,1-3,5,9H3;2-3H,1H2;1-2H2/b15-13-,24-16-;;
InChIKeyOLICAZGPIMNAFO-AVJSPZMHSA-N
MW426.69 g/mol
LogP8.39
Rot. Bonds14

About ethene;(4Z,8E)-8-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8-diene;prop-2-enal

ethene;(4Z,8E)-8-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8-diene;prop-2-enal (PubChem CID 145122911) has the molecular formula C29H46O2 and a molecular weight of 426.69 g/mol. Its IUPAC name is ethene;(4Z,8E)-8-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8-diene;prop-2-enal.

Molecular Properties

Compound Nameethene;(4Z,8E)-8-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8-diene;prop-2-enal
PubChem CID145122911
Molecular FormulaC29H46O2
Molecular Weight426.69 g/mol
Exact Mass426.35
IUPAC Nameethene;(4Z,8E)-8-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8-diene;prop-2-enal
SMILESC=C.C=C(/C=C\C(=C)C(=C)/C(=C\C(=C)C(C)CCC(C)CC)COC)CC.C=CC=O
InChIInChI=1S/C24H38O.C3H4O.C2H4/c1-10-18(3)12-14-20(5)22(7)16-24(17-25-9)23(8)21(6)15-13-19(4)11-2;1-2-3-4;1-2/h13,15-16,18,20H,4,6-8,10-12,14,17H2,1-3,5,9H3;2-3H,1H2;1-2H2/b15-13-,24-16-;;
InChIKeyOLICAZGPIMNAFO-AVJSPZMHSA-N
XLogP8.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.69
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;(4Z,8E)-8-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8-diene;prop-2-enal?
The IUPAC name of ethene;(4Z,8E)-8-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8-diene;prop-2-enal (CID 145122911) is ethene;(4Z,8E)-8-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8-diene;prop-2-enal.
What is the SMILES notation for ethene;(4Z,8E)-8-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8-diene;prop-2-enal?
The canonical SMILES for ethene;(4Z,8E)-8-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8-diene;prop-2-enal is C=C.C=C(/C=C\C(=C)C(=C)/C(=C\C(=C)C(C)CCC(C)CC)COC)CC.C=CC=O.
What is the InChIKey of ethene;(4Z,8E)-8-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8-diene;prop-2-enal?
The InChIKey is OLICAZGPIMNAFO-AVJSPZMHSA-N. The full InChI is InChI=1S/C24H38O.C3H4O.C2H4/c1-10-18(3)12-14-20(5)22(7)16-24(17-25-9)23(8)21(6)15-13-19(4)11-2;1-2-3-4;1-2/h13,15-16,18,20H,4,6-8,10-12,14,17H2,1-3,5,9H3;2-3H,1H2;1-2H2/b15-13-,24-16-;;.
What are the key properties of ethene;(4Z,8E)-8-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8-diene;prop-2-enal?
ethene;(4Z,8E)-8-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8-diene;prop-2-enal has a molecular weight of 426.69 g/mol, XLogP of 8.39, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(4Z,8E)-8-(methoxymethyl)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8-diene;prop-2-enal is sourced from PubChem (CID 145122911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).