7-ethyl-9,9-dimethyl-6,7,8,10-tetrahydrobenzo[8]annulen-5-one

C16H22O — CID 123230384

IUPAC7-ethyl-9,9-dimethyl-6,7,8,10-tetrahydrobenzo[8]annulen-5-one
SMILESCCC1CC(=O)c2ccccc2CC(C)(C)C1
InChIInChI=1S/C16H22O/c1-4-12-9-15(17)14-8-6-5-7-13(14)11-16(2,3)10-12/h5-8,12H,4,9-11H2,1-3H3
InChIKeyGFCVQTNOWQFHQU-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.26
Rot. Bonds1

About 7-ethyl-9,9-dimethyl-6,7,8,10-tetrahydrobenzo[8]annulen-5-one

7-ethyl-9,9-dimethyl-6,7,8,10-tetrahydrobenzo[8]annulen-5-one (PubChem CID 123230384) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 7-ethyl-9,9-dimethyl-6,7,8,10-tetrahydrobenzo[8]annulen-5-one.

Molecular Properties

Compound Name7-ethyl-9,9-dimethyl-6,7,8,10-tetrahydrobenzo[8]annulen-5-one
PubChem CID123230384
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name7-ethyl-9,9-dimethyl-6,7,8,10-tetrahydrobenzo[8]annulen-5-one
SMILESCCC1CC(=O)c2ccccc2CC(C)(C)C1
InChIInChI=1S/C16H22O/c1-4-12-9-15(17)14-8-6-5-7-13(14)11-16(2,3)10-12/h5-8,12H,4,9-11H2,1-3H3
InChIKeyGFCVQTNOWQFHQU-UHFFFAOYSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-9,9-dimethyl-6,7,8,10-tetrahydrobenzo[8]annulen-5-one?
The IUPAC name of 7-ethyl-9,9-dimethyl-6,7,8,10-tetrahydrobenzo[8]annulen-5-one (CID 123230384) is 7-ethyl-9,9-dimethyl-6,7,8,10-tetrahydrobenzo[8]annulen-5-one.
What is the SMILES notation for 7-ethyl-9,9-dimethyl-6,7,8,10-tetrahydrobenzo[8]annulen-5-one?
The canonical SMILES for 7-ethyl-9,9-dimethyl-6,7,8,10-tetrahydrobenzo[8]annulen-5-one is CCC1CC(=O)c2ccccc2CC(C)(C)C1.
What is the InChIKey of 7-ethyl-9,9-dimethyl-6,7,8,10-tetrahydrobenzo[8]annulen-5-one?
The InChIKey is GFCVQTNOWQFHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-4-12-9-15(17)14-8-6-5-7-13(14)11-16(2,3)10-12/h5-8,12H,4,9-11H2,1-3H3.
What are the key properties of 7-ethyl-9,9-dimethyl-6,7,8,10-tetrahydrobenzo[8]annulen-5-one?
7-ethyl-9,9-dimethyl-6,7,8,10-tetrahydrobenzo[8]annulen-5-one has a molecular weight of 230.35 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-9,9-dimethyl-6,7,8,10-tetrahydrobenzo[8]annulen-5-one is sourced from PubChem (CID 123230384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).