acetaldehyde;(E)-5-(methoxymethyl)-7,10-dimethyl-3,6-dimethylideneundec-4-ene;prop-1-ene

C22H40O2 — CID 145122580

IUPACacetaldehyde;(E)-5-(methoxymethyl)-7,10-dimethyl-3,6-dimethylideneundec-4-ene;prop-1-ene
SMILESC=C(/C=C(/COC)C(=C)C(C)CCC(C)C)CC.C=CC.CC=O
InChIInChI=1S/C17H30O.C3H6.C2H4O/c1-8-14(4)11-17(12-18-7)16(6)15(5)10-9-13(2)3;1-3-2;1-2-3/h11,13,15H,4,6,8-10,12H2,1-3,5,7H3;3H,1H2,2H3;2H,1H3/b17-11-;;
InChIKeyHOQSXAHVAZCYFX-LIHJRMICSA-N
MW336.56 g/mol
LogP6.55
Rot. Bonds9

About acetaldehyde;(E)-5-(methoxymethyl)-7,10-dimethyl-3,6-dimethylideneundec-4-ene;prop-1-ene

acetaldehyde;(E)-5-(methoxymethyl)-7,10-dimethyl-3,6-dimethylideneundec-4-ene;prop-1-ene (PubChem CID 145122580) has the molecular formula C22H40O2 and a molecular weight of 336.56 g/mol. Its IUPAC name is acetaldehyde;(E)-5-(methoxymethyl)-7,10-dimethyl-3,6-dimethylideneundec-4-ene;prop-1-ene.

Molecular Properties

Compound Nameacetaldehyde;(E)-5-(methoxymethyl)-7,10-dimethyl-3,6-dimethylideneundec-4-ene;prop-1-ene
PubChem CID145122580
Molecular FormulaC22H40O2
Molecular Weight336.56 g/mol
Exact Mass336.30
IUPAC Nameacetaldehyde;(E)-5-(methoxymethyl)-7,10-dimethyl-3,6-dimethylideneundec-4-ene;prop-1-ene
SMILESC=C(/C=C(/COC)C(=C)C(C)CCC(C)C)CC.C=CC.CC=O
InChIInChI=1S/C17H30O.C3H6.C2H4O/c1-8-14(4)11-17(12-18-7)16(6)15(5)10-9-13(2)3;1-3-2;1-2-3/h11,13,15H,4,6,8-10,12H2,1-3,5,7H3;3H,1H2,2H3;2H,1H3/b17-11-;;
InChIKeyHOQSXAHVAZCYFX-LIHJRMICSA-N
XLogP6.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 56.55
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;(E)-5-(methoxymethyl)-7,10-dimethyl-3,6-dimethylideneundec-4-ene;prop-1-ene?
The IUPAC name of acetaldehyde;(E)-5-(methoxymethyl)-7,10-dimethyl-3,6-dimethylideneundec-4-ene;prop-1-ene (CID 145122580) is acetaldehyde;(E)-5-(methoxymethyl)-7,10-dimethyl-3,6-dimethylideneundec-4-ene;prop-1-ene.
What is the SMILES notation for acetaldehyde;(E)-5-(methoxymethyl)-7,10-dimethyl-3,6-dimethylideneundec-4-ene;prop-1-ene?
The canonical SMILES for acetaldehyde;(E)-5-(methoxymethyl)-7,10-dimethyl-3,6-dimethylideneundec-4-ene;prop-1-ene is C=C(/C=C(/COC)C(=C)C(C)CCC(C)C)CC.C=CC.CC=O.
What is the InChIKey of acetaldehyde;(E)-5-(methoxymethyl)-7,10-dimethyl-3,6-dimethylideneundec-4-ene;prop-1-ene?
The InChIKey is HOQSXAHVAZCYFX-LIHJRMICSA-N. The full InChI is InChI=1S/C17H30O.C3H6.C2H4O/c1-8-14(4)11-17(12-18-7)16(6)15(5)10-9-13(2)3;1-3-2;1-2-3/h11,13,15H,4,6,8-10,12H2,1-3,5,7H3;3H,1H2,2H3;2H,1H3/b17-11-;;.
What are the key properties of acetaldehyde;(E)-5-(methoxymethyl)-7,10-dimethyl-3,6-dimethylideneundec-4-ene;prop-1-ene?
acetaldehyde;(E)-5-(methoxymethyl)-7,10-dimethyl-3,6-dimethylideneundec-4-ene;prop-1-ene has a molecular weight of 336.56 g/mol, XLogP of 6.55, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;(E)-5-(methoxymethyl)-7,10-dimethyl-3,6-dimethylideneundec-4-ene;prop-1-ene is sourced from PubChem (CID 145122580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).