2-hexadecylnaphthalene-1-carbaldehyde

C27H40O — CID 141208229

IUPAC2-hexadecylnaphthalene-1-carbaldehyde
SMILESCCCCCCCCCCCCCCCCc1ccc2ccccc2c1C=O
InChIInChI=1S/C27H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-22-21-24-19-16-17-20-26(24)27(25)23-28/h16-17,19-23H,2-15,18H2,1H3
InChIKeyXWROWOFTYKINQB-UHFFFAOYSA-N
MW380.62 g/mol
LogP8.68
Rot. Bonds16

About 2-hexadecylnaphthalene-1-carbaldehyde

2-hexadecylnaphthalene-1-carbaldehyde (PubChem CID 141208229) has the molecular formula C27H40O and a molecular weight of 380.62 g/mol. Its IUPAC name is 2-hexadecylnaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-hexadecylnaphthalene-1-carbaldehyde
PubChem CID141208229
Molecular FormulaC27H40O
Molecular Weight380.62 g/mol
Exact Mass380.31
IUPAC Name2-hexadecylnaphthalene-1-carbaldehyde
SMILESCCCCCCCCCCCCCCCCc1ccc2ccccc2c1C=O
InChIInChI=1S/C27H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-22-21-24-19-16-17-20-26(24)27(25)23-28/h16-17,19-23H,2-15,18H2,1H3
InChIKeyXWROWOFTYKINQB-UHFFFAOYSA-N
XLogP8.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.62
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-phenylpentyl)naphthalene-1-carbaldehyde
CID 54567845
2-hexyl-1-propylnaphthalene
CID 173300538
ethane;2-ethylnaphthalene-1-carbaldehyde
CID 91261169
2-decyl-1-methylnaphthalene
CID 154261310
2-pentyl-1-propylnaphthalene
CID 173391876
1,2-didecylnaphthalene
CID 22410831
1,2-di(icosyl)naphthalene
CID 90782201
1,2-di(pentadecyl)naphthalene;sulfuric acid
CID 172768972
2-undecylnaphthalen-1-ol
CID 139729579
CID 66933436
CID 66933436
2-hexadecylnaphthalen-1-amine
CID 57354886
CID 162312155
CID 162312155

Frequently Asked Questions

What is the IUPAC name of 2-hexadecylnaphthalene-1-carbaldehyde?
The IUPAC name of 2-hexadecylnaphthalene-1-carbaldehyde (CID 141208229) is 2-hexadecylnaphthalene-1-carbaldehyde.
What is the SMILES notation for 2-hexadecylnaphthalene-1-carbaldehyde?
The canonical SMILES for 2-hexadecylnaphthalene-1-carbaldehyde is CCCCCCCCCCCCCCCCc1ccc2ccccc2c1C=O.
What is the InChIKey of 2-hexadecylnaphthalene-1-carbaldehyde?
The InChIKey is XWROWOFTYKINQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-22-21-24-19-16-17-20-26(24)27(25)23-28/h16-17,19-23H,2-15,18H2,1H3.
What are the key properties of 2-hexadecylnaphthalene-1-carbaldehyde?
2-hexadecylnaphthalene-1-carbaldehyde has a molecular weight of 380.62 g/mol, XLogP of 8.68, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecylnaphthalene-1-carbaldehyde is sourced from PubChem (CID 141208229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).