1-(1,8a-dihydronaphthalen-2-yl)ethyl acetate

C14H16O2 — CID 123886484

IUPAC1-(1,8a-dihydronaphthalen-2-yl)ethyl acetate
SMILESCC(=O)OC(C)C1=CC=C2C=CC=CC2C1
InChIInChI=1S/C14H16O2/c1-10(16-11(2)15)13-8-7-12-5-3-4-6-14(12)9-13/h3-8,10,14H,9H2,1-2H3
InChIKeySLDORENZEYLARU-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.94
Rot. Bonds2

About 1-(1,8a-dihydronaphthalen-2-yl)ethyl acetate

1-(1,8a-dihydronaphthalen-2-yl)ethyl acetate (PubChem CID 123886484) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(1,8a-dihydronaphthalen-2-yl)ethyl acetate.

Molecular Properties

Compound Name1-(1,8a-dihydronaphthalen-2-yl)ethyl acetate
PubChem CID123886484
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name1-(1,8a-dihydronaphthalen-2-yl)ethyl acetate
SMILESCC(=O)OC(C)C1=CC=C2C=CC=CC2C1
InChIInChI=1S/C14H16O2/c1-10(16-11(2)15)13-8-7-12-5-3-4-6-14(12)9-13/h3-8,10,14H,9H2,1-2H3
InChIKeySLDORENZEYLARU-UHFFFAOYSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1,8a-dihydronaphthalen-2-yl)ethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Carvyl acetate
CID 7335
Perillyl acetate
CID 61780
Carvyl propionate, (+-)-
CID 7336
p-Mentha-1,8(10)-dien-9-yl acetate
CID 61781
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,5R)-rel-
CID 102024
Carvyl acetate, (1S,5R)-
CID 81505
Carvyl acetate, (1S,5S)-
CID 81544
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R-trans)-
CID 6951358
2-Cyclohexen-1-ol, 5-methylene-6-(1-methylethenyl)-, acetate, (1S-cis)-
CID 208438
[(2R,4aS,5R,8aR)-3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalen-2-yl] acetate
CID 25242675
ethyl (2E,4E)-10-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
CID 21522924
Carvyl propionate, cis-(+/-)-
CID 688054

Frequently Asked Questions

What is the IUPAC name of 1-(1,8a-dihydronaphthalen-2-yl)ethyl acetate?
The IUPAC name of 1-(1,8a-dihydronaphthalen-2-yl)ethyl acetate (CID 123886484) is 1-(1,8a-dihydronaphthalen-2-yl)ethyl acetate.
What is the SMILES notation for 1-(1,8a-dihydronaphthalen-2-yl)ethyl acetate?
The canonical SMILES for 1-(1,8a-dihydronaphthalen-2-yl)ethyl acetate is CC(=O)OC(C)C1=CC=C2C=CC=CC2C1.
What is the InChIKey of 1-(1,8a-dihydronaphthalen-2-yl)ethyl acetate?
The InChIKey is SLDORENZEYLARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-10(16-11(2)15)13-8-7-12-5-3-4-6-14(12)9-13/h3-8,10,14H,9H2,1-2H3.
What are the key properties of 1-(1,8a-dihydronaphthalen-2-yl)ethyl acetate?
1-(1,8a-dihydronaphthalen-2-yl)ethyl acetate has a molecular weight of 216.28 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,8a-dihydronaphthalen-2-yl)ethyl acetate is sourced from PubChem (CID 123886484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).