(2Z)-3-[(4-methoxyphenyl)methoxymethyl]-7-methylocta-2,6-dienal

C18H24O3 — CID 122226267

IUPAC(2Z)-3-[(4-methoxyphenyl)methoxymethyl]-7-methylocta-2,6-dienal
SMILESCOc1ccc(COC/C(=C\C=O)CCC=C(C)C)cc1
InChIInChI=1S/C18H24O3/c1-15(2)5-4-6-16(11-12-19)13-21-14-17-7-9-18(20-3)10-8-17/h5,7-12H,4,6,13-14H2,1-3H3/b16-11-
InChIKeyOUVVWTOHHZDWGW-WJDWOHSUSA-N
MW288.39 g/mol
LogP4.08
Rot. Bonds9

About (2Z)-3-[(4-methoxyphenyl)methoxymethyl]-7-methylocta-2,6-dienal

(2Z)-3-[(4-methoxyphenyl)methoxymethyl]-7-methylocta-2,6-dienal (PubChem CID 122226267) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2Z)-3-[(4-methoxyphenyl)methoxymethyl]-7-methylocta-2,6-dienal.

Molecular Properties

Compound Name(2Z)-3-[(4-methoxyphenyl)methoxymethyl]-7-methylocta-2,6-dienal
PubChem CID122226267
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name(2Z)-3-[(4-methoxyphenyl)methoxymethyl]-7-methylocta-2,6-dienal
SMILESCOc1ccc(COC/C(=C\C=O)CCC=C(C)C)cc1
InChIInChI=1S/C18H24O3/c1-15(2)5-4-6-16(11-12-19)13-21-14-17-7-9-18(20-3)10-8-17/h5,7-12H,4,6,13-14H2,1-3H3/b16-11-
InChIKeyOUVVWTOHHZDWGW-WJDWOHSUSA-N
XLogP4.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

(E)-4-[(4-methoxyphenyl)methoxy]-3-methylbut-2-enal
CID 101450016
(4-methoxyphenyl)methyl (2E)-3,7-dimethylocta-2,6-dienoate
CID 170275325
1-methoxy-4-[(3E)-2,4,8-trimethylnona-3,7-dienyl]benzene
CID 69088540
1-(4-methoxyphenyl)-5-methylhex-4-en-1-one
CID 11160278
(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol
CID 11010385
1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylhepta-3,6-dienoxy]methyl]benzene
CID 101454627
1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene
CID 10798623
N-(3,7-dimethylocta-2,6-dienyl)-4-methoxy-N-(4-methoxyphenyl)aniline
CID 69302470
(E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one
CID 10752160
[(2E)-3,7-dimethylocta-2,6-dienyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 5373772
1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]hepta-3,6-dienoxy]methyl]benzene
CID 101454626
(2R,3R)-2-[(4-methoxyphenyl)methoxy]-7-methyloct-6-ene-1,3-diol
CID 71425675

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-[(4-methoxyphenyl)methoxymethyl]-7-methylocta-2,6-dienal?
The IUPAC name of (2Z)-3-[(4-methoxyphenyl)methoxymethyl]-7-methylocta-2,6-dienal (CID 122226267) is (2Z)-3-[(4-methoxyphenyl)methoxymethyl]-7-methylocta-2,6-dienal.
What is the SMILES notation for (2Z)-3-[(4-methoxyphenyl)methoxymethyl]-7-methylocta-2,6-dienal?
The canonical SMILES for (2Z)-3-[(4-methoxyphenyl)methoxymethyl]-7-methylocta-2,6-dienal is COc1ccc(COC/C(=C\C=O)CCC=C(C)C)cc1.
What is the InChIKey of (2Z)-3-[(4-methoxyphenyl)methoxymethyl]-7-methylocta-2,6-dienal?
The InChIKey is OUVVWTOHHZDWGW-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H24O3/c1-15(2)5-4-6-16(11-12-19)13-21-14-17-7-9-18(20-3)10-8-17/h5,7-12H,4,6,13-14H2,1-3H3/b16-11-.
What are the key properties of (2Z)-3-[(4-methoxyphenyl)methoxymethyl]-7-methylocta-2,6-dienal?
(2Z)-3-[(4-methoxyphenyl)methoxymethyl]-7-methylocta-2,6-dienal has a molecular weight of 288.39 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[(4-methoxyphenyl)methoxymethyl]-7-methylocta-2,6-dienal is sourced from PubChem (CID 122226267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).