5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalene-1-carbaldehyde

C20H26O4 — CID 10471842

IUPAC5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalene-1-carbaldehyde
SMILESCCCCCOc1cc(C=O)c2cccc(CC)c2c1OCOC
InChIInChI=1S/C20H26O4/c1-4-6-7-11-23-18-12-16(13-21)17-10-8-9-15(5-2)19(17)20(18)24-14-22-3/h8-10,12-13H,4-7,11,14H2,1-3H3
InChIKeyFTCZNAVIFRJJBP-UHFFFAOYSA-N
MW330.42 g/mol
LogP4.77
Rot. Bonds10

About 5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalene-1-carbaldehyde

5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalene-1-carbaldehyde (PubChem CID 10471842) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is 5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalene-1-carbaldehyde
PubChem CID10471842
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalene-1-carbaldehyde
SMILESCCCCCOc1cc(C=O)c2cccc(CC)c2c1OCOC
InChIInChI=1S/C20H26O4/c1-4-6-7-11-23-18-12-16(13-21)17-10-8-9-15(5-2)19(17)20(18)24-14-22-3/h8-10,12-13H,4-7,11,14H2,1-3H3
InChIKeyFTCZNAVIFRJJBP-UHFFFAOYSA-N
XLogP4.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

ethyl (Z)-3-[5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalen-1-yl]prop-2-enoate
CID 10250397
5-ethyl-4-hydroxy-3-(2-methoxyethoxy)naphthalene-1-carbaldehyde
CID 10016170
ethyl (Z)-3-[5-ethyl-3-(2-methoxyethoxy)-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate
CID 10385609
ethyl (E)-3-[3-ethoxy-5-ethyl-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate
CID 10338451
(Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-phenylprop-2-enoic acid
CID 11741233
2-methoxy-3-pentoxybenzaldehyde
CID 82161467
ethyl (Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-methylprop-2-enoate
CID 10316348
(2Z)-2-[[3-methoxy-4-(methoxymethoxy)-5-propylnaphthalen-1-yl]methylidene]butanoic acid
CID 10383765
1,6,11,16-tetrakis(2-butoxyethoxy)-4,13-bis(methoxymethoxy)hexahelicene-3-carbaldehyde
CID 10629675
4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde
CID 101201557
3-(2-methylpropyl)-2-pentoxybenzaldehyde
CID 174897838
2-ethyl-6-(methoxymethoxy)benzaldehyde
CID 59509177

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalene-1-carbaldehyde?
The IUPAC name of 5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalene-1-carbaldehyde (CID 10471842) is 5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalene-1-carbaldehyde.
What is the SMILES notation for 5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalene-1-carbaldehyde?
The canonical SMILES for 5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalene-1-carbaldehyde is CCCCCOc1cc(C=O)c2cccc(CC)c2c1OCOC.
What is the InChIKey of 5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalene-1-carbaldehyde?
The InChIKey is FTCZNAVIFRJJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4/c1-4-6-7-11-23-18-12-16(13-21)17-10-8-9-15(5-2)19(17)20(18)24-14-22-3/h8-10,12-13H,4-7,11,14H2,1-3H3.
What are the key properties of 5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalene-1-carbaldehyde?
5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalene-1-carbaldehyde has a molecular weight of 330.42 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(methoxymethoxy)-3-pentoxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 10471842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).