5-heptoxynaphthalene-2-carbaldehyde

C18H22O2 — CID 90037600

IUPAC5-heptoxynaphthalene-2-carbaldehyde
SMILESCCCCCCCOc1cccc2cc(C=O)ccc12
InChIInChI=1S/C18H22O2/c1-2-3-4-5-6-12-20-18-9-7-8-16-13-15(14-19)10-11-17(16)18/h7-11,13-14H,2-6,12H2,1H3
InChIKeyGUIMRJSKSXFMAD-UHFFFAOYSA-N
MW270.37 g/mol
LogP5.00
Rot. Bonds8

About 5-heptoxynaphthalene-2-carbaldehyde

5-heptoxynaphthalene-2-carbaldehyde (PubChem CID 90037600) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 5-heptoxynaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name5-heptoxynaphthalene-2-carbaldehyde
PubChem CID90037600
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name5-heptoxynaphthalene-2-carbaldehyde
SMILESCCCCCCCOc1cccc2cc(C=O)ccc12
InChIInChI=1S/C18H22O2/c1-2-3-4-5-6-12-20-18-9-7-8-16-13-15(14-19)10-11-17(16)18/h7-11,13-14H,2-6,12H2,1H3
InChIKeyGUIMRJSKSXFMAD-UHFFFAOYSA-N
XLogP5.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.37
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,6-dipentoxynaphthalene
CID 22144299
3,4-di(tetradecoxy)benzaldehyde
CID 23127451
5-pentoxynaphthalen-2-ol
CID 22144275
1-nonoxyanthracene
CID 86193569
3-hydroxy-4-octoxybenzaldehyde
CID 59691799
1,2,3-tridodecoxybenzene
CID 11308140
1,2,3-trihexadecoxybenzene
CID 15518170
1-decoxyphenanthrene
CID 140993229
4-[6-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxyhexoxy]benzaldehyde
CID 102190987
3,4,5-trihexoxybenzaldehyde
CID 15316903
2-methoxy-3-pentoxybenzaldehyde
CID 82161467
1-butoxynaphthalene
CID 13262700

Frequently Asked Questions

What is the IUPAC name of 5-heptoxynaphthalene-2-carbaldehyde?
The IUPAC name of 5-heptoxynaphthalene-2-carbaldehyde (CID 90037600) is 5-heptoxynaphthalene-2-carbaldehyde.
What is the SMILES notation for 5-heptoxynaphthalene-2-carbaldehyde?
The canonical SMILES for 5-heptoxynaphthalene-2-carbaldehyde is CCCCCCCOc1cccc2cc(C=O)ccc12.
What is the InChIKey of 5-heptoxynaphthalene-2-carbaldehyde?
The InChIKey is GUIMRJSKSXFMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-2-3-4-5-6-12-20-18-9-7-8-16-13-15(14-19)10-11-17(16)18/h7-11,13-14H,2-6,12H2,1H3.
What are the key properties of 5-heptoxynaphthalene-2-carbaldehyde?
5-heptoxynaphthalene-2-carbaldehyde has a molecular weight of 270.37 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptoxynaphthalene-2-carbaldehyde is sourced from PubChem (CID 90037600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).