2,3-diethyl-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol

C17H26O — CID 113319285

IUPAC2,3-diethyl-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCCc1cc2c(cc1CC)C(O)CC(C)(C)CC2
InChIInChI=1S/C17H26O/c1-5-12-9-14-7-8-17(3,4)11-16(18)15(14)10-13(12)6-2/h9-10,16,18H,5-8,11H2,1-4H3
InChIKeyVCHGNBOPHIUWSG-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.21
Rot. Bonds2

About 2,3-diethyl-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol

2,3-diethyl-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol (PubChem CID 113319285) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 2,3-diethyl-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol.

Molecular Properties

Compound Name2,3-diethyl-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
PubChem CID113319285
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name2,3-diethyl-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCCc1cc2c(cc1CC)C(O)CC(C)(C)CC2
InChIInChI=1S/C17H26O/c1-5-12-9-14-7-8-17(3,4)11-16(18)15(14)10-13(12)6-2/h9-10,16,18H,5-8,11H2,1-4H3
InChIKeyVCHGNBOPHIUWSG-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3-diethyl-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol with MolForge

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Related Compounds

2,3,7,7-tetramethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 115483250
7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]inden-5-ol
CID 113319284
3-fluoro-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 62934544
3-chloro-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 62934374
1,2,3-trimethoxy-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 62934715
5,6-diethyl-2-methyl-1,3-dihydroinden-2-amine
CID 22499232
4-(6-ethyl-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl)benzaldehyde
CID 144765187
5-chloro-2,3-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 115483297
(1S)-6,7-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115483246
5-bromo-7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]indene
CID 115483281
(1R)-5,6-diethyl-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 115483206
5,6-diethyl-1,2-dimethyl-2,3-dihydro-1H-indene
CID 58834653

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol?
The IUPAC name of 2,3-diethyl-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol (CID 113319285) is 2,3-diethyl-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol.
What is the SMILES notation for 2,3-diethyl-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol?
The canonical SMILES for 2,3-diethyl-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol is CCc1cc2c(cc1CC)C(O)CC(C)(C)CC2.
What is the InChIKey of 2,3-diethyl-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol?
The InChIKey is VCHGNBOPHIUWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-5-12-9-14-7-8-17(3,4)11-16(18)15(14)10-13(12)6-2/h9-10,16,18H,5-8,11H2,1-4H3.
What are the key properties of 2,3-diethyl-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol?
2,3-diethyl-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol has a molecular weight of 246.39 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol is sourced from PubChem (CID 113319285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).