(2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl acetate

C17H20O2 — CID 58434810

IUPAC(2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl acetate
SMILESCC(=O)OCC1C2C=CC=CC2C2C=CC(C)=CC21
InChIInChI=1S/C17H20O2/c1-11-7-8-15-13-5-3-4-6-14(13)17(16(15)9-11)10-19-12(2)18/h3-9,13-17H,10H2,1-2H3
InChIKeyNZXWVARXSOPFAB-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.29
Rot. Bonds2

About (2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl acetate

(2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl acetate (PubChem CID 58434810) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is (2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl acetate.

Molecular Properties

Compound Name(2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl acetate
PubChem CID58434810
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name(2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl acetate
SMILESCC(=O)OCC1C2C=CC=CC2C2C=CC(C)=CC21
InChIInChI=1S/C17H20O2/c1-11-7-8-15-13-5-3-4-6-14(13)17(16(15)9-11)10-19-12(2)18/h3-9,13-17H,10H2,1-2H3
InChIKeyNZXWVARXSOPFAB-UHFFFAOYSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,3R,6R,7R,9S,10R)-10-(acetyloxymethyl)-9-pentacyclo[4.4.0.02,4.03,8.05,7]decanyl]methyl acetate
CID 100895939
[(2Z,4E,6Z,8E)-cyclonona-2,4,6,8-tetraen-1-yl]methyl acetate
CID 121011443
[(1R,2S)-2-(3,5-dimethylphenyl)-4-methylidenecyclobutyl]methyl acetate
CID 155882814
[(2R,3R)-3-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate
CID 11031606
2-[(1R,4R,5S)-5-(acetyloxymethyl)-4-methylcyclopent-2-en-1-yl]acetic acid
CID 102302499
[(2R,3R)-3-methyl-5-oxooxolan-2-yl]methyl acetate
CID 100952681
methyl (2,4,6-trimethylcyclohex-3-en-1-yl)methyl carbonate
CID 15278415
[(3aR,4R,5S,6aR)-5-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]methyl acetate
CID 14184165
[(3aR,4R,5R,6aS)-5-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]methyl acetate
CID 11184409
[(1R,5R,8R)-8-bicyclo[3.2.1]octa-2,6-dienyl]methyl acetate
CID 98162364
[(1S)-2-hexylcycloprop-2-en-1-yl]methyl acetate
CID 101205202
[(1S,4S)-3,4,5,5-tetramethylcyclopent-2-en-1-yl]methyl acetate
CID 91748887

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl acetate?
The IUPAC name of (2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl acetate (CID 58434810) is (2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl acetate.
What is the SMILES notation for (2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl acetate?
The canonical SMILES for (2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl acetate is CC(=O)OCC1C2C=CC=CC2C2C=CC(C)=CC21.
What is the InChIKey of (2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl acetate?
The InChIKey is NZXWVARXSOPFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-11-7-8-15-13-5-3-4-6-14(13)17(16(15)9-11)10-19-12(2)18/h3-9,13-17H,10H2,1-2H3.
What are the key properties of (2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl acetate?
(2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl acetate has a molecular weight of 256.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)methyl acetate is sourced from PubChem (CID 58434810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).