ethane;formaldehyde;(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene

C23H38O2 — CID 145122158

IUPACethane;formaldehyde;(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene
SMILESC=C(C)/C=C(/COC)C(=C)C(=C)/C=C\C(=C)CC.C=CC.C=O.CC
InChIInChI=1S/C17H24O.C3H6.C2H6.CH2O/c1-8-14(4)9-10-15(5)16(6)17(12-18-7)11-13(2)3;1-3-2;2*1-2/h9-11H,2,4-6,8,12H2,1,3,7H3;3H,1H2,2H3;1-2H3;1H2/b10-9-,17-11-;;;
InChIKeyPQMHJNNBFHHCFT-HFJCMJIFSA-N
MW346.56 g/mol
LogP6.80
Rot. Bonds8

About ethane;formaldehyde;(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene

ethane;formaldehyde;(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene (PubChem CID 145122158) has the molecular formula C23H38O2 and a molecular weight of 346.56 g/mol. Its IUPAC name is ethane;formaldehyde;(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene.

Molecular Properties

Compound Nameethane;formaldehyde;(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene
PubChem CID145122158
Molecular FormulaC23H38O2
Molecular Weight346.56 g/mol
Exact Mass346.29
IUPAC Nameethane;formaldehyde;(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene
SMILESC=C(C)/C=C(/COC)C(=C)C(=C)/C=C\C(=C)CC.C=CC.C=O.CC
InChIInChI=1S/C17H24O.C3H6.C2H6.CH2O/c1-8-14(4)9-10-15(5)16(6)17(12-18-7)11-13(2)3;1-3-2;2*1-2/h9-11H,2,4-6,8,12H2,1,3,7H3;3H,1H2,2H3;1-2H3;1H2/b10-9-,17-11-;;;
InChIKeyPQMHJNNBFHHCFT-HFJCMJIFSA-N
XLogP6.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-Methoxy-7-(methoxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraene
CID 53768801
(6E,8E,10E)-4-methoxy-2,6,11-trimethyltrideca-2,6,8,10-tetraene
CID 59977352
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(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-4,29-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
CID 88004951
2-Methyl-1-(2-methylnona-2,4-dienoxy)nona-2,4-diene
CID 90973074
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(4E)-4-ethyl-3-(methoxymethyl)-2-methylocta-2,4-diene
CID 126591361
5-But-3-enyl-1,2-bis(methoxymethyl)cyclohepta-1,3,5-triene
CID 126748703
(3E,5Z)-6-ethenyl-9-[(3Z,4Z,6E)-3-ethylidene-6-[(2-methylpropan-2-yl)oxy]octa-4,6-dienoxy]-3-[(2-methylpropan-2-yl)oxy]nona-1,3,5-triene
CID 129299153
(2E)-8-methyl-4-methylidene-1-[(2E)-8-methyl-4-methylidenenona-2,7-dienoxy]nona-2,7-diene
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5-[(E)-3-[[(1R)-cyclohepta-2,5-dien-1-yl]methoxy]prop-1-enyl]-2-methylcyclohepta-1,3-diene;formaldehyde;methane
CID 141937583

Frequently Asked Questions

What is the IUPAC name of ethane;formaldehyde;(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene?
The IUPAC name of ethane;formaldehyde;(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene (CID 145122158) is ethane;formaldehyde;(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene.
What is the SMILES notation for ethane;formaldehyde;(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene?
The canonical SMILES for ethane;formaldehyde;(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene is C=C(C)/C=C(/COC)C(=C)C(=C)/C=C\C(=C)CC.C=CC.C=O.CC.
What is the InChIKey of ethane;formaldehyde;(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene?
The InChIKey is PQMHJNNBFHHCFT-HFJCMJIFSA-N. The full InChI is InChI=1S/C17H24O.C3H6.C2H6.CH2O/c1-8-14(4)9-10-15(5)16(6)17(12-18-7)11-13(2)3;1-3-2;2*1-2/h9-11H,2,4-6,8,12H2,1,3,7H3;3H,1H2,2H3;1-2H3;1H2/b10-9-,17-11-;;;.
What are the key properties of ethane;formaldehyde;(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene?
ethane;formaldehyde;(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene has a molecular weight of 346.56 g/mol, XLogP of 6.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formaldehyde;(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;prop-1-ene is sourced from PubChem (CID 145122158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).