2,3,7,7-tetramethyl-8,9-dihydro-6H-benzo[7]annulen-5-one

C15H20O — CID 115483109

IUPAC2,3,7,7-tetramethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
SMILESCc1cc2c(cc1C)C(=O)CC(C)(C)CC2
InChIInChI=1S/C15H20O/c1-10-7-12-5-6-15(3,4)9-14(16)13(12)8-11(10)2/h7-8H,5-6,9H2,1-4H3
InChIKeyDLAYWHJJABQRLB-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.85
Rot. Bonds

About 2,3,7,7-tetramethyl-8,9-dihydro-6H-benzo[7]annulen-5-one

2,3,7,7-tetramethyl-8,9-dihydro-6H-benzo[7]annulen-5-one (PubChem CID 115483109) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2,3,7,7-tetramethyl-8,9-dihydro-6H-benzo[7]annulen-5-one.

Molecular Properties

Compound Name2,3,7,7-tetramethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
PubChem CID115483109
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2,3,7,7-tetramethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
SMILESCc1cc2c(cc1C)C(=O)CC(C)(C)CC2
InChIInChI=1S/C15H20O/c1-10-7-12-5-6-15(3,4)9-14(16)13(12)8-11(10)2/h7-8H,5-6,9H2,1-4H3
InChIKeyDLAYWHJJABQRLB-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,7,7-tetramethyl-8,9-dihydro-6H-benzo[7]annulen-5-one?
The IUPAC name of 2,3,7,7-tetramethyl-8,9-dihydro-6H-benzo[7]annulen-5-one (CID 115483109) is 2,3,7,7-tetramethyl-8,9-dihydro-6H-benzo[7]annulen-5-one.
What is the SMILES notation for 2,3,7,7-tetramethyl-8,9-dihydro-6H-benzo[7]annulen-5-one?
The canonical SMILES for 2,3,7,7-tetramethyl-8,9-dihydro-6H-benzo[7]annulen-5-one is Cc1cc2c(cc1C)C(=O)CC(C)(C)CC2.
What is the InChIKey of 2,3,7,7-tetramethyl-8,9-dihydro-6H-benzo[7]annulen-5-one?
The InChIKey is DLAYWHJJABQRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-10-7-12-5-6-15(3,4)9-14(16)13(12)8-11(10)2/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 2,3,7,7-tetramethyl-8,9-dihydro-6H-benzo[7]annulen-5-one?
2,3,7,7-tetramethyl-8,9-dihydro-6H-benzo[7]annulen-5-one has a molecular weight of 216.32 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,7-tetramethyl-8,9-dihydro-6H-benzo[7]annulen-5-one is sourced from PubChem (CID 115483109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).