(1S)-1-propyl-4H-naphthalene-1-carbaldehyde

C14H16O — CID 11008955

IUPAC(1S)-1-propyl-4H-naphthalene-1-carbaldehyde
SMILESCCC[C@]1(C=O)C=CCc2ccccc21
InChIInChI=1S/C14H16O/c1-2-9-14(11-15)10-5-7-12-6-3-4-8-13(12)14/h3-6,8,10-11H,2,7,9H2,1H3/t14-/m1/s1
InChIKeyMKVDZUZESQCJSZ-CQSZACIVSA-N
MW200.28 g/mol
LogP3.04
Rot. Bonds3

About (1S)-1-propyl-4H-naphthalene-1-carbaldehyde

(1S)-1-propyl-4H-naphthalene-1-carbaldehyde (PubChem CID 11008955) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is (1S)-1-propyl-4H-naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name(1S)-1-propyl-4H-naphthalene-1-carbaldehyde
PubChem CID11008955
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name(1S)-1-propyl-4H-naphthalene-1-carbaldehyde
SMILESCCC[C@]1(C=O)C=CCc2ccccc21
InChIInChI=1S/C14H16O/c1-2-9-14(11-15)10-5-7-12-6-3-4-8-13(12)14/h3-6,8,10-11H,2,7,9H2,1H3/t14-/m1/s1
InChIKeyMKVDZUZESQCJSZ-CQSZACIVSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-propyl-4H-naphthalene-1-carbaldehyde?
The IUPAC name of (1S)-1-propyl-4H-naphthalene-1-carbaldehyde (CID 11008955) is (1S)-1-propyl-4H-naphthalene-1-carbaldehyde.
What is the SMILES notation for (1S)-1-propyl-4H-naphthalene-1-carbaldehyde?
The canonical SMILES for (1S)-1-propyl-4H-naphthalene-1-carbaldehyde is CCC[C@]1(C=O)C=CCc2ccccc21.
What is the InChIKey of (1S)-1-propyl-4H-naphthalene-1-carbaldehyde?
The InChIKey is MKVDZUZESQCJSZ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16O/c1-2-9-14(11-15)10-5-7-12-6-3-4-8-13(12)14/h3-6,8,10-11H,2,7,9H2,1H3/t14-/m1/s1.
What are the key properties of (1S)-1-propyl-4H-naphthalene-1-carbaldehyde?
(1S)-1-propyl-4H-naphthalene-1-carbaldehyde has a molecular weight of 200.28 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-propyl-4H-naphthalene-1-carbaldehyde is sourced from PubChem (CID 11008955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).