formaldehyde;(3E,7Z,11Z)-2-methoxy-4-(2-methoxyethoxy)-7,14,17-trimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene;2-methylprop-1-ene

C35H54O4 — CID 145122145

IUPACformaldehyde;(3E,7Z,11Z)-2-methoxy-4-(2-methoxyethoxy)-7,14,17-trimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene;2-methylprop-1-ene
SMILESC=C(/C=C(\OCCOC)C(=C)C(=C)/C(C)=C\C(=C)C(=C)/C=C\C(=C)C(C)CCC(C)C)OC.C=C(C)C.C=O
InChIInChI=1S/C30H44O3.C4H8.CH2O/c1-21(2)13-14-22(3)23(4)15-16-24(5)25(6)19-26(7)28(9)29(10)30(20-27(8)32-12)33-18-17-31-11;1-4(2)3;1-2/h15-16,19-22H,4-6,8-10,13-14,17-18H2,1-3,7,11-12H3;1H2,2-3H3;1H2/b16-15-,26-19-,30-20+;;
InChIKeyAWAMXABLJPCGNI-KBNBZCMBSA-N
MW538.81 g/mol
LogP9.45
Rot. Bonds17

About formaldehyde;(3E,7Z,11Z)-2-methoxy-4-(2-methoxyethoxy)-7,14,17-trimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene;2-methylprop-1-ene

formaldehyde;(3E,7Z,11Z)-2-methoxy-4-(2-methoxyethoxy)-7,14,17-trimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene;2-methylprop-1-ene (PubChem CID 145122145) has the molecular formula C35H54O4 and a molecular weight of 538.81 g/mol. Its IUPAC name is formaldehyde;(3E,7Z,11Z)-2-methoxy-4-(2-methoxyethoxy)-7,14,17-trimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene;2-methylprop-1-ene.

Molecular Properties

Compound Nameformaldehyde;(3E,7Z,11Z)-2-methoxy-4-(2-methoxyethoxy)-7,14,17-trimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene;2-methylprop-1-ene
PubChem CID145122145
Molecular FormulaC35H54O4
Molecular Weight538.81 g/mol
Exact Mass538.40
IUPAC Nameformaldehyde;(3E,7Z,11Z)-2-methoxy-4-(2-methoxyethoxy)-7,14,17-trimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene;2-methylprop-1-ene
SMILESC=C(/C=C(\OCCOC)C(=C)C(=C)/C(C)=C\C(=C)C(=C)/C=C\C(=C)C(C)CCC(C)C)OC.C=C(C)C.C=O
InChIInChI=1S/C30H44O3.C4H8.CH2O/c1-21(2)13-14-22(3)23(4)15-16-24(5)25(6)19-26(7)28(9)29(10)30(20-27(8)32-12)33-18-17-31-11;1-4(2)3;1-2/h15-16,19-22H,4-6,8-10,13-14,17-18H2,1-3,7,11-12H3;1H2,2-3H3;1H2/b16-15-,26-19-,30-20+;;
InChIKeyAWAMXABLJPCGNI-KBNBZCMBSA-N
XLogP9.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.81
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze formaldehyde;(3E,7Z,11Z)-2-methoxy-4-(2-methoxyethoxy)-7,14,17-trimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene;2-methylprop-1-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;(3E,7Z,11Z)-2-methoxy-4-(2-methoxyethoxy)-7,14,17-trimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene;2-methylprop-1-ene?
The IUPAC name of formaldehyde;(3E,7Z,11Z)-2-methoxy-4-(2-methoxyethoxy)-7,14,17-trimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene;2-methylprop-1-ene (CID 145122145) is formaldehyde;(3E,7Z,11Z)-2-methoxy-4-(2-methoxyethoxy)-7,14,17-trimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene;2-methylprop-1-ene.
What is the SMILES notation for formaldehyde;(3E,7Z,11Z)-2-methoxy-4-(2-methoxyethoxy)-7,14,17-trimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene;2-methylprop-1-ene?
The canonical SMILES for formaldehyde;(3E,7Z,11Z)-2-methoxy-4-(2-methoxyethoxy)-7,14,17-trimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene;2-methylprop-1-ene is C=C(/C=C(\OCCOC)C(=C)C(=C)/C(C)=C\C(=C)C(=C)/C=C\C(=C)C(C)CCC(C)C)OC.C=C(C)C.C=O.
What is the InChIKey of formaldehyde;(3E,7Z,11Z)-2-methoxy-4-(2-methoxyethoxy)-7,14,17-trimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene;2-methylprop-1-ene?
The InChIKey is AWAMXABLJPCGNI-KBNBZCMBSA-N. The full InChI is InChI=1S/C30H44O3.C4H8.CH2O/c1-21(2)13-14-22(3)23(4)15-16-24(5)25(6)19-26(7)28(9)29(10)30(20-27(8)32-12)33-18-17-31-11;1-4(2)3;1-2/h15-16,19-22H,4-6,8-10,13-14,17-18H2,1-3,7,11-12H3;1H2,2-3H3;1H2/b16-15-,26-19-,30-20+;;.
What are the key properties of formaldehyde;(3E,7Z,11Z)-2-methoxy-4-(2-methoxyethoxy)-7,14,17-trimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene;2-methylprop-1-ene?
formaldehyde;(3E,7Z,11Z)-2-methoxy-4-(2-methoxyethoxy)-7,14,17-trimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene;2-methylprop-1-ene has a molecular weight of 538.81 g/mol, XLogP of 9.45, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;(3E,7Z,11Z)-2-methoxy-4-(2-methoxyethoxy)-7,14,17-trimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene;2-methylprop-1-ene is sourced from PubChem (CID 145122145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).