(4E,6R,7R,8E,10R)-7-(methoxymethoxy)-6,8,10-trimethyltrideca-4,8-dienal

C18H32O3 — CID 11150636

IUPAC(4E,6R,7R,8E,10R)-7-(methoxymethoxy)-6,8,10-trimethyltrideca-4,8-dienal
SMILESCCC[C@@H](C)/C=C(\C)[C@H](OCOC)[C@H](C)/C=C/CCC=O
InChIInChI=1S/C18H32O3/c1-6-10-15(2)13-17(4)18(21-14-20-5)16(3)11-8-7-9-12-19/h8,11-13,15-16,18H,6-7,9-10,14H2,1-5H3/b11-8+,17-13+/t15-,16-,18-/m1/s1
InChIKeyYHOOSSXQXICOHK-CFXDYJLXSA-N
MW296.45 g/mol
LogP4.53
Rot. Bonds12

About (4E,6R,7R,8E,10R)-7-(methoxymethoxy)-6,8,10-trimethyltrideca-4,8-dienal

(4E,6R,7R,8E,10R)-7-(methoxymethoxy)-6,8,10-trimethyltrideca-4,8-dienal (PubChem CID 11150636) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is (4E,6R,7R,8E,10R)-7-(methoxymethoxy)-6,8,10-trimethyltrideca-4,8-dienal.

Molecular Properties

Compound Name(4E,6R,7R,8E,10R)-7-(methoxymethoxy)-6,8,10-trimethyltrideca-4,8-dienal
PubChem CID11150636
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name(4E,6R,7R,8E,10R)-7-(methoxymethoxy)-6,8,10-trimethyltrideca-4,8-dienal
SMILESCCC[C@@H](C)/C=C(\C)[C@H](OCOC)[C@H](C)/C=C/CCC=O
InChIInChI=1S/C18H32O3/c1-6-10-15(2)13-17(4)18(21-14-20-5)16(3)11-8-7-9-12-19/h8,11-13,15-16,18H,6-7,9-10,14H2,1-5H3/b11-8+,17-13+/t15-,16-,18-/m1/s1
InChIKeyYHOOSSXQXICOHK-CFXDYJLXSA-N
XLogP4.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4E,6R,7R,8E,10R)-7-(methoxymethoxy)-6,8,10-trimethyltrideca-4,8-dienal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E,6R,7R,10R)-7-(methoxymethoxy)-6,8,10-trimethyltridec-8-en-4-ynoxy]methylbenzene
CID 11749515
(2R,6E,8R,9S,10Z)-8-(methoxymethoxy)-7,9-dimethyl-11-tributylstannylundeca-6,10-dien-2-ol
CID 16754601
(6R)-6-methylnon-4-ene
CID 175484589
(E)-3,5-dimethyloct-3-en-2-ol
CID 87272540
(5E)-4-(methoxymethoxy)-10-tributylstannyltrideca-5,10,11-trienal
CID 15700072
methyl (Z,7R)-7-hydroxy-2-[(E,1R,2S)-1-(methoxymethoxy)-2-methyl-4-tributylstannylbut-3-enyl]oct-2-enoate
CID 11353793
(Z,2R)-2-(methoxymethoxy)octadec-3-enoic acid
CID 11057009
(E,2R,3R,6R)-2,4,6-trimethyl-3-triethylsilyloxynon-4-en-1-ol
CID 101227709
dimethyl 2-[(E)-hept-3-en-2-yl]propanedioate
CID 134981164
7-methyldeca-1,5-diene
CID 123987303
(E,2R,5S,6R)-2,4,6-trimethyl-5-(phenylmethoxymethoxy)non-3-en-1-ol
CID 14194136
(2E,4S,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol
CID 134992697

Frequently Asked Questions

What is the IUPAC name of (4E,6R,7R,8E,10R)-7-(methoxymethoxy)-6,8,10-trimethyltrideca-4,8-dienal?
The IUPAC name of (4E,6R,7R,8E,10R)-7-(methoxymethoxy)-6,8,10-trimethyltrideca-4,8-dienal (CID 11150636) is (4E,6R,7R,8E,10R)-7-(methoxymethoxy)-6,8,10-trimethyltrideca-4,8-dienal.
What is the SMILES notation for (4E,6R,7R,8E,10R)-7-(methoxymethoxy)-6,8,10-trimethyltrideca-4,8-dienal?
The canonical SMILES for (4E,6R,7R,8E,10R)-7-(methoxymethoxy)-6,8,10-trimethyltrideca-4,8-dienal is CCC[C@@H](C)/C=C(\C)[C@H](OCOC)[C@H](C)/C=C/CCC=O.
What is the InChIKey of (4E,6R,7R,8E,10R)-7-(methoxymethoxy)-6,8,10-trimethyltrideca-4,8-dienal?
The InChIKey is YHOOSSXQXICOHK-CFXDYJLXSA-N. The full InChI is InChI=1S/C18H32O3/c1-6-10-15(2)13-17(4)18(21-14-20-5)16(3)11-8-7-9-12-19/h8,11-13,15-16,18H,6-7,9-10,14H2,1-5H3/b11-8+,17-13+/t15-,16-,18-/m1/s1.
What are the key properties of (4E,6R,7R,8E,10R)-7-(methoxymethoxy)-6,8,10-trimethyltrideca-4,8-dienal?
(4E,6R,7R,8E,10R)-7-(methoxymethoxy)-6,8,10-trimethyltrideca-4,8-dienal has a molecular weight of 296.45 g/mol, XLogP of 4.53, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6R,7R,8E,10R)-7-(methoxymethoxy)-6,8,10-trimethyltrideca-4,8-dienal is sourced from PubChem (CID 11150636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).