2-heptoxynaphthalene-1-carbaldehyde

C18H22O2 — CID 43505602

IUPAC2-heptoxynaphthalene-1-carbaldehyde
SMILESCCCCCCCOc1ccc2ccccc2c1C=O
InChIInChI=1S/C18H22O2/c1-2-3-4-5-8-13-20-18-12-11-15-9-6-7-10-16(15)17(18)14-19/h6-7,9-12,14H,2-5,8,13H2,1H3
InChIKeyKNBVNWODONEQGS-UHFFFAOYSA-N
MW270.37 g/mol
LogP5.00
Rot. Bonds8

About 2-heptoxynaphthalene-1-carbaldehyde

2-heptoxynaphthalene-1-carbaldehyde (PubChem CID 43505602) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-heptoxynaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-heptoxynaphthalene-1-carbaldehyde
PubChem CID43505602
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name2-heptoxynaphthalene-1-carbaldehyde
SMILESCCCCCCCOc1ccc2ccccc2c1C=O
InChIInChI=1S/C18H22O2/c1-2-3-4-5-8-13-20-18-12-11-15-9-6-7-10-16(15)17(18)14-19/h6-7,9-12,14H,2-5,8,13H2,1H3
InChIKeyKNBVNWODONEQGS-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

2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde
CID 62228685
2-(3-methylsulfanylpropoxy)naphthalene-1-carbaldehyde
CID 115659116
ethyl 6-(1-formylnaphthalen-2-yl)oxyhexanoate
CID 86662491
6-(1-formylnaphthalen-2-yl)oxyhexyl prop-2-enoate
CID 20798470
4-(1-formylnaphthalen-2-yl)oxybutanenitrile
CID 43389591
2-(2-phenylethoxy)naphthalene-1-carbaldehyde
CID 22687262
1,4-didodecoxynaphthalene
CID 21304164
1-bromo-2-nonoxynaphthalene
CID 63529773
2-[2-(4-ethylphenoxy)ethoxy]naphthalene-1-carbaldehyde
CID 20993434
2-hexoxy-6-hydroxybenzaldehyde
CID 153494115
3-(1-formylnaphthalen-2-yl)oxy-N-methylpropanamide
CID 62326134
1-(bromomethyl)-2-hexoxynaphthalene
CID 43505804

Frequently Asked Questions

What is the IUPAC name of 2-heptoxynaphthalene-1-carbaldehyde?
The IUPAC name of 2-heptoxynaphthalene-1-carbaldehyde (CID 43505602) is 2-heptoxynaphthalene-1-carbaldehyde.
What is the SMILES notation for 2-heptoxynaphthalene-1-carbaldehyde?
The canonical SMILES for 2-heptoxynaphthalene-1-carbaldehyde is CCCCCCCOc1ccc2ccccc2c1C=O.
What is the InChIKey of 2-heptoxynaphthalene-1-carbaldehyde?
The InChIKey is KNBVNWODONEQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-2-3-4-5-8-13-20-18-12-11-15-9-6-7-10-16(15)17(18)14-19/h6-7,9-12,14H,2-5,8,13H2,1H3.
What are the key properties of 2-heptoxynaphthalene-1-carbaldehyde?
2-heptoxynaphthalene-1-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 2-heptoxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 43505602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).