2-[4-[3-(1,4-dimethoxynaphthalen-2-yl)propa-1,2-dienoxy]buta-2,3-dienoxy]oxane

C24H26O5 — CID 135021591

IUPAC2-[4-[3-(1,4-dimethoxynaphthalen-2-yl)propa-1,2-dienoxy]buta-2,3-dienoxy]oxane
SMILESCOc1cc(C=C=COC=C=CCOC2CCCCO2)c(OC)c2ccccc12
InChIInChI=1S/C24H26O5/c1-25-22-18-19(24(26-2)21-12-4-3-11-20(21)22)10-9-15-27-14-7-8-17-29-23-13-5-6-16-28-23/h3-4,8,10-12,14-15,18,23H,5-6,13,16-17H2,1-2H3
InChIKeyQYMLPNQJWOCGJX-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.21
Rot. Bonds8

About 2-[4-[3-(1,4-dimethoxynaphthalen-2-yl)propa-1,2-dienoxy]buta-2,3-dienoxy]oxane

2-[4-[3-(1,4-dimethoxynaphthalen-2-yl)propa-1,2-dienoxy]buta-2,3-dienoxy]oxane (PubChem CID 135021591) has the molecular formula C24H26O5 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[4-[3-(1,4-dimethoxynaphthalen-2-yl)propa-1,2-dienoxy]buta-2,3-dienoxy]oxane.

Molecular Properties

Compound Name2-[4-[3-(1,4-dimethoxynaphthalen-2-yl)propa-1,2-dienoxy]buta-2,3-dienoxy]oxane
PubChem CID135021591
Molecular FormulaC24H26O5
Molecular Weight394.47 g/mol
Exact Mass394.18
IUPAC Name2-[4-[3-(1,4-dimethoxynaphthalen-2-yl)propa-1,2-dienoxy]buta-2,3-dienoxy]oxane
SMILESCOc1cc(C=C=COC=C=CCOC2CCCCO2)c(OC)c2ccccc12
InChIInChI=1S/C24H26O5/c1-25-22-18-19(24(26-2)21-12-4-3-11-20(21)22)10-9-15-27-14-7-8-17-29-23-13-5-6-16-28-23/h3-4,8,10-12,14-15,18,23H,5-6,13,16-17H2,1-2H3
InChIKeyQYMLPNQJWOCGJX-UHFFFAOYSA-N
XLogP5.21
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[3-(1,4-dimethoxynaphthalen-2-yl)propa-1,2-dienoxy]buta-2,3-dienoxy]oxane with MolForge

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Related Compounds

2-[4-(4-methoxyphenyl)buta-2,3-dienoxy]oxane
CID 44519885
2-[(2,3-dimethoxyphenyl)methoxy]oxane
CID 11265241
(2S)-2-[3-(2-methoxyphenoxy)propoxy]oxane
CID 100761288
4-(oxan-2-yloxy)-1-(3,4,5-trimethoxyphenyl)but-2-yn-1-one
CID 10914609
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
2-[(Z)-3-(2-methylphenyl)but-2-enoxy]oxane
CID 102509927
methyl 3-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]prop-2-enoate
CID 72616107
2-[(4-methoxy-3-methylphenyl)methoxy]oxane
CID 66596594
2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]oxane
CID 46182882
(2R)-2-[(E)-pent-2-en-4-ynoxy]oxane
CID 95562312
N-[3-(2-methoxyphenyl)prop-2-enyl]-3-(oxan-2-yloxy)propan-1-amine
CID 126823813
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1,4-dimethoxynaphthalen-2-yl)propa-1,2-dienoxy]buta-2,3-dienoxy]oxane?
The IUPAC name of 2-[4-[3-(1,4-dimethoxynaphthalen-2-yl)propa-1,2-dienoxy]buta-2,3-dienoxy]oxane (CID 135021591) is 2-[4-[3-(1,4-dimethoxynaphthalen-2-yl)propa-1,2-dienoxy]buta-2,3-dienoxy]oxane.
What is the SMILES notation for 2-[4-[3-(1,4-dimethoxynaphthalen-2-yl)propa-1,2-dienoxy]buta-2,3-dienoxy]oxane?
The canonical SMILES for 2-[4-[3-(1,4-dimethoxynaphthalen-2-yl)propa-1,2-dienoxy]buta-2,3-dienoxy]oxane is COc1cc(C=C=COC=C=CCOC2CCCCO2)c(OC)c2ccccc12.
What is the InChIKey of 2-[4-[3-(1,4-dimethoxynaphthalen-2-yl)propa-1,2-dienoxy]buta-2,3-dienoxy]oxane?
The InChIKey is QYMLPNQJWOCGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O5/c1-25-22-18-19(24(26-2)21-12-4-3-11-20(21)22)10-9-15-27-14-7-8-17-29-23-13-5-6-16-28-23/h3-4,8,10-12,14-15,18,23H,5-6,13,16-17H2,1-2H3.
What are the key properties of 2-[4-[3-(1,4-dimethoxynaphthalen-2-yl)propa-1,2-dienoxy]buta-2,3-dienoxy]oxane?
2-[4-[3-(1,4-dimethoxynaphthalen-2-yl)propa-1,2-dienoxy]buta-2,3-dienoxy]oxane has a molecular weight of 394.47 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1,4-dimethoxynaphthalen-2-yl)propa-1,2-dienoxy]buta-2,3-dienoxy]oxane is sourced from PubChem (CID 135021591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).