(4S)-4-naphthalen-1-ylpentanal

C15H16O — CID 10774914

IUPAC(4S)-4-naphthalen-1-ylpentanal
SMILESC[C@@H](CCC=O)c1cccc2ccccc12
InChIInChI=1S/C15H16O/c1-12(6-5-11-16)14-10-4-8-13-7-2-3-9-15(13)14/h2-4,7-12H,5-6H2,1H3/t12-/m0/s1
InChIKeyCYCSAJCSUMNRGC-LBPRGKRZSA-N
MW212.29 g/mol
LogP3.92
Rot. Bonds4

About (4S)-4-naphthalen-1-ylpentanal

(4S)-4-naphthalen-1-ylpentanal (PubChem CID 10774914) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is (4S)-4-naphthalen-1-ylpentanal.

Molecular Properties

Compound Name(4S)-4-naphthalen-1-ylpentanal
PubChem CID10774914
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name(4S)-4-naphthalen-1-ylpentanal
SMILESC[C@@H](CCC=O)c1cccc2ccccc12
InChIInChI=1S/C15H16O/c1-12(6-5-11-16)14-10-4-8-13-7-2-3-9-15(13)14/h2-4,7-12H,5-6H2,1H3/t12-/m0/s1
InChIKeyCYCSAJCSUMNRGC-LBPRGKRZSA-N
XLogP3.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-naphthalen-1-ylbutan-1-amine
CID 81020058
1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene
CID 69118835
N-[(1R)-1-naphthalen-1-ylethyl]formamide
CID 87180924
4-diethoxyphosphoryl-4-naphthalen-1-ylbutanal
CID 54758130
3-naphthalen-1-ylbutanoic acid
CID 43211329
1-(4-bromopentan-2-yl)naphthalene
CID 64720152
(4S)-4-(2,3-dimethoxy-4-methylphenyl)pentanal
CID 10847418
naphthalen-1-yl(3-naphthalen-1-ylbutoxy)methanol
CID 91010626
cerium(3+);2-naphthalen-1-ylpropan-1-amine;trichloride;hydrate
CID 159849461
1-[(2R)-butan-2-yl]naphthalene;pentane
CID 142150914
difluoro(2-naphthalen-1-ylpropyl)silane
CID 137328904
CID 174906138
CID 174906138

Frequently Asked Questions

What is the IUPAC name of (4S)-4-naphthalen-1-ylpentanal?
The IUPAC name of (4S)-4-naphthalen-1-ylpentanal (CID 10774914) is (4S)-4-naphthalen-1-ylpentanal.
What is the SMILES notation for (4S)-4-naphthalen-1-ylpentanal?
The canonical SMILES for (4S)-4-naphthalen-1-ylpentanal is C[C@@H](CCC=O)c1cccc2ccccc12.
What is the InChIKey of (4S)-4-naphthalen-1-ylpentanal?
The InChIKey is CYCSAJCSUMNRGC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16O/c1-12(6-5-11-16)14-10-4-8-13-7-2-3-9-15(13)14/h2-4,7-12H,5-6H2,1H3/t12-/m0/s1.
What are the key properties of (4S)-4-naphthalen-1-ylpentanal?
(4S)-4-naphthalen-1-ylpentanal has a molecular weight of 212.29 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-naphthalen-1-ylpentanal is sourced from PubChem (CID 10774914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).