2-[(2E)-4-methoxypenta-2,4-dien-2-yl]-5-(3,4,5-trimethoxyphenyl)oxolane

C19H26O5 — CID 143132571

IUPAC2-[(2E)-4-methoxypenta-2,4-dien-2-yl]-5-(3,4,5-trimethoxyphenyl)oxolane
SMILESC=C(/C=C(\C)C1CCC(c2cc(OC)c(OC)c(OC)c2)O1)OC
InChIInChI=1S/C19H26O5/c1-12(9-13(2)20-3)15-7-8-16(24-15)14-10-17(21-4)19(23-6)18(11-14)22-5/h9-11,15-16H,2,7-8H2,1,3-6H3/b12-9+
InChIKeyYCUSIXFVJGTBFY-FMIVXFBMSA-N
MW334.41 g/mol
LogP4.04
Rot. Bonds7

About 2-[(2E)-4-methoxypenta-2,4-dien-2-yl]-5-(3,4,5-trimethoxyphenyl)oxolane

2-[(2E)-4-methoxypenta-2,4-dien-2-yl]-5-(3,4,5-trimethoxyphenyl)oxolane (PubChem CID 143132571) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is 2-[(2E)-4-methoxypenta-2,4-dien-2-yl]-5-(3,4,5-trimethoxyphenyl)oxolane.

Molecular Properties

Compound Name2-[(2E)-4-methoxypenta-2,4-dien-2-yl]-5-(3,4,5-trimethoxyphenyl)oxolane
PubChem CID143132571
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Name2-[(2E)-4-methoxypenta-2,4-dien-2-yl]-5-(3,4,5-trimethoxyphenyl)oxolane
SMILESC=C(/C=C(\C)C1CCC(c2cc(OC)c(OC)c(OC)c2)O1)OC
InChIInChI=1S/C19H26O5/c1-12(9-13(2)20-3)15-7-8-16(24-15)14-10-17(21-4)19(23-6)18(11-14)22-5/h9-11,15-16H,2,7-8H2,1,3-6H3/b12-9+
InChIKeyYCUSIXFVJGTBFY-FMIVXFBMSA-N
XLogP4.04
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol
CID 11794734
(2S,5R)-2-methyl-5-(3,4,5-trimethoxyphenyl)oxolane
CID 142954682
2-[2-iodo-6-methoxy-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethanol
CID 18928874
2-methoxy-6-nitro-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol
CID 23056679
(2R,5R)-2,5-bis(3-hexoxy-4,5-dimethoxyphenyl)oxolane
CID 10768909
(2R,5R)-2-(3-methoxy-5-methylsulfonyl-4-prop-2-enoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane
CID 67936629
N-[2-[2-methoxy-6-methylsulfonyl-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethyl]hydroxylamine
CID 22092618
2-[2-methoxy-6-methylsulfonyl-4-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethanol
CID 12044495
1-hydroxy-3-[3-[3-methoxy-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]prop-1-enyl]-1-prop-2-enylurea
CID 173291342
2,5-bis(3,4-dimethoxyphenyl)oxolane
CID 13491508
1-hydroxy-3-[3-[3-methoxy-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]prop-1-enyl]-1-propylurea
CID 173291053
2-[N-ethoxy-3-methoxy-2-prop-2-enoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]anilino]acetaldehyde
CID 57155045

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-4-methoxypenta-2,4-dien-2-yl]-5-(3,4,5-trimethoxyphenyl)oxolane?
The IUPAC name of 2-[(2E)-4-methoxypenta-2,4-dien-2-yl]-5-(3,4,5-trimethoxyphenyl)oxolane (CID 143132571) is 2-[(2E)-4-methoxypenta-2,4-dien-2-yl]-5-(3,4,5-trimethoxyphenyl)oxolane.
What is the SMILES notation for 2-[(2E)-4-methoxypenta-2,4-dien-2-yl]-5-(3,4,5-trimethoxyphenyl)oxolane?
The canonical SMILES for 2-[(2E)-4-methoxypenta-2,4-dien-2-yl]-5-(3,4,5-trimethoxyphenyl)oxolane is C=C(/C=C(\C)C1CCC(c2cc(OC)c(OC)c(OC)c2)O1)OC.
What is the InChIKey of 2-[(2E)-4-methoxypenta-2,4-dien-2-yl]-5-(3,4,5-trimethoxyphenyl)oxolane?
The InChIKey is YCUSIXFVJGTBFY-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H26O5/c1-12(9-13(2)20-3)15-7-8-16(24-15)14-10-17(21-4)19(23-6)18(11-14)22-5/h9-11,15-16H,2,7-8H2,1,3-6H3/b12-9+.
What are the key properties of 2-[(2E)-4-methoxypenta-2,4-dien-2-yl]-5-(3,4,5-trimethoxyphenyl)oxolane?
2-[(2E)-4-methoxypenta-2,4-dien-2-yl]-5-(3,4,5-trimethoxyphenyl)oxolane has a molecular weight of 334.41 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-4-methoxypenta-2,4-dien-2-yl]-5-(3,4,5-trimethoxyphenyl)oxolane is sourced from PubChem (CID 143132571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).