tert-butyl 8,9,10,11-tetrahydrochrysene-1-carboxylate

C23H24O2 — CID 174398352

IUPACtert-butyl 8,9,10,11-tetrahydrochrysene-1-carboxylate
SMILESCC(C)(C)OC(=O)c1cccc2c1=CCc1c3c(ccc1=2)=CCCC3
InChIInChI=1S/C23H24O2/c1-23(2,3)25-22(24)21-10-6-9-17-19-12-11-15-7-4-5-8-16(15)18(19)13-14-20(17)21/h6-7,9-12,14H,4-5,8,13H2,1-3H3
InChIKeyYHKGKEIQSSUOFR-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.38
Rot. Bonds1

About tert-butyl 8,9,10,11-tetrahydrochrysene-1-carboxylate

tert-butyl 8,9,10,11-tetrahydrochrysene-1-carboxylate (PubChem CID 174398352) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl 8,9,10,11-tetrahydrochrysene-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 8,9,10,11-tetrahydrochrysene-1-carboxylate
PubChem CID174398352
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Nametert-butyl 8,9,10,11-tetrahydrochrysene-1-carboxylate
SMILESCC(C)(C)OC(=O)c1cccc2c1=CCc1c3c(ccc1=2)=CCCC3
InChIInChI=1S/C23H24O2/c1-23(2,3)25-22(24)21-10-6-9-17-19-12-11-15-7-4-5-8-16(15)18(19)13-14-20(17)21/h6-7,9-12,14H,4-5,8,13H2,1-3H3
InChIKeyYHKGKEIQSSUOFR-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 8,9,10,11-tetrahydrochrysene-1-carboxylate 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

ditert-butyl 2-dimethoxyboranylbenzene-1,3-dicarboxylate
CID 101443525
ditert-butyl 2,5-dimethylbenzene-1,4-dicarboxylate
CID 4229880
2-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
CID 69125479
CID 71111006
CID 71111006
tert-butyl 2-hydroxybenzoate;cobalt
CID 70348779
cyclohexa-1,3-diene;5,5-dimethyl-3,4-dihydro-2H-chrysene
CID 174797530
2-[(7,8-dichloro-2,3,4,5-tetrahydrochrysen-2-yl)methyl]benzene-1,3-dicarboxylic acid
CID 175280787
tert-butyl 5-acetylnaphthalene-1-carboxylate
CID 155204418
3-O-tert-butyl 1-O-methyl 2-hydroxybenzene-1,3-dicarboxylate
CID 174913311
2,3-bis[(2-methylpropan-2-yl)oxycarbonyl]benzenesulfonic acid
CID 140519484
tert-butyl 2-methyl-3-propanoylbenzoate
CID 67707959
2-fluoro-6-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
CID 70018250

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8,9,10,11-tetrahydrochrysene-1-carboxylate?
The IUPAC name of tert-butyl 8,9,10,11-tetrahydrochrysene-1-carboxylate (CID 174398352) is tert-butyl 8,9,10,11-tetrahydrochrysene-1-carboxylate.
What is the SMILES notation for tert-butyl 8,9,10,11-tetrahydrochrysene-1-carboxylate?
The canonical SMILES for tert-butyl 8,9,10,11-tetrahydrochrysene-1-carboxylate is CC(C)(C)OC(=O)c1cccc2c1=CCc1c3c(ccc1=2)=CCCC3.
What is the InChIKey of tert-butyl 8,9,10,11-tetrahydrochrysene-1-carboxylate?
The InChIKey is YHKGKEIQSSUOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2/c1-23(2,3)25-22(24)21-10-6-9-17-19-12-11-15-7-4-5-8-16(15)18(19)13-14-20(17)21/h6-7,9-12,14H,4-5,8,13H2,1-3H3.
What are the key properties of tert-butyl 8,9,10,11-tetrahydrochrysene-1-carboxylate?
tert-butyl 8,9,10,11-tetrahydrochrysene-1-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8,9,10,11-tetrahydrochrysene-1-carboxylate is sourced from PubChem (CID 174398352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).