(1,4-dimethyl-2,3-dihydroinden-1-yl) acetate

C13H16O2 — CID 590282

IUPAC(1,4-dimethyl-2,3-dihydroinden-1-yl) acetate
SMILESCC(=O)OC1(C)CCc2c(C)cccc21
InChIInChI=1S/C13H16O2/c1-9-5-4-6-12-11(9)7-8-13(12,3)15-10(2)14/h4-6H,7-8H2,1-3H3
InChIKeyPWWBXOPVNRIYAW-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.72
Rot. Bonds1

About (1,4-dimethyl-2,3-dihydroinden-1-yl) acetate

(1,4-dimethyl-2,3-dihydroinden-1-yl) acetate (PubChem CID 590282) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (1,4-dimethyl-2,3-dihydroinden-1-yl) acetate.

Molecular Properties

Compound Name(1,4-dimethyl-2,3-dihydroinden-1-yl) acetate
PubChem CID590282
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(1,4-dimethyl-2,3-dihydroinden-1-yl) acetate
SMILESCC(=O)OC1(C)CCc2c(C)cccc21
InChIInChI=1S/C13H16O2/c1-9-5-4-6-12-11(9)7-8-13(12,3)15-10(2)14/h4-6H,7-8H2,1-3H3
InChIKeyPWWBXOPVNRIYAW-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzenemethanol, 2,4-dimethyl-, 1-acetate
CID 94602
Benzenemethanol, alpha,alpha-dimethyl-, 1-acetate
CID 76963
1-Indanyl acetate
CID 233153
(3E)-1-methoxy-2-methyl-3-(3-prop-2-enoxypropylidene)-1,2-dihydroindene
CID 16759045
9-Fluorenyl methacrylate
CID 22236819
[(2R,5R,6R,9Z,13S)-17-(methoxymethyl)-6,10,13-trimethyl-5-[(2R)-6-methylheptan-2-yl]-13-tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraenyl] acetate
CID 44291368
2-Propanol, 2-phenyl, propanoate
CID 19356747
methyl (3Z)-3-(3-methoxy-2-methyl-2,3-dihydroinden-1-ylidene)propanoate
CID 16759097
[(3Z)-3-[(2R,3S)-5-fluoro-3-methoxy-2-methyl-2,3-dihydroinden-1-ylidene]propyl] (E)-4-phenylbut-3-enoate
CID 24867738
3-[(2R,3S)-5-fluoro-3-methoxy-2-methyl-2,3-dihydroinden-1-ylidene]propyl 4-phenylbut-3-enoate
CID 49858967
9-Fluorenyl acetate
CID 141166
2-[4-(Acetyloxymethyl)-2,2,6-trimethyl-1,3-dihydroinden-5-yl]ethyl acetate
CID 44234438

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethyl-2,3-dihydroinden-1-yl) acetate?
The IUPAC name of (1,4-dimethyl-2,3-dihydroinden-1-yl) acetate (CID 590282) is (1,4-dimethyl-2,3-dihydroinden-1-yl) acetate.
What is the SMILES notation for (1,4-dimethyl-2,3-dihydroinden-1-yl) acetate?
The canonical SMILES for (1,4-dimethyl-2,3-dihydroinden-1-yl) acetate is CC(=O)OC1(C)CCc2c(C)cccc21.
What is the InChIKey of (1,4-dimethyl-2,3-dihydroinden-1-yl) acetate?
The InChIKey is PWWBXOPVNRIYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9-5-4-6-12-11(9)7-8-13(12,3)15-10(2)14/h4-6H,7-8H2,1-3H3.
What are the key properties of (1,4-dimethyl-2,3-dihydroinden-1-yl) acetate?
(1,4-dimethyl-2,3-dihydroinden-1-yl) acetate has a molecular weight of 204.27 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethyl-2,3-dihydroinden-1-yl) acetate is sourced from PubChem (CID 590282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).