(7,10-dimethyl-6,7,8,9-tetrahydro-5H-benzo[8]annulen-10-yl) 2,2-dimethylpropanoate

C19H28O2 — CID 134170381

IUPAC(7,10-dimethyl-6,7,8,9-tetrahydro-5H-benzo[8]annulen-10-yl) 2,2-dimethylpropanoate
SMILESCC1CCc2ccccc2C(C)(OC(=O)C(C)(C)C)CC1
InChIInChI=1S/C19H28O2/c1-14-10-11-15-8-6-7-9-16(15)19(5,13-12-14)21-17(20)18(2,3)4/h6-9,14H,10-13H2,1-5H3
InChIKeyOPTNLPAWMZYKIW-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.85
Rot. Bonds1

About (7,10-dimethyl-6,7,8,9-tetrahydro-5H-benzo[8]annulen-10-yl) 2,2-dimethylpropanoate

(7,10-dimethyl-6,7,8,9-tetrahydro-5H-benzo[8]annulen-10-yl) 2,2-dimethylpropanoate (PubChem CID 134170381) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is (7,10-dimethyl-6,7,8,9-tetrahydro-5H-benzo[8]annulen-10-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(7,10-dimethyl-6,7,8,9-tetrahydro-5H-benzo[8]annulen-10-yl) 2,2-dimethylpropanoate
PubChem CID134170381
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name(7,10-dimethyl-6,7,8,9-tetrahydro-5H-benzo[8]annulen-10-yl) 2,2-dimethylpropanoate
SMILESCC1CCc2ccccc2C(C)(OC(=O)C(C)(C)C)CC1
InChIInChI=1S/C19H28O2/c1-14-10-11-15-8-6-7-9-16(15)19(5,13-12-14)21-17(20)18(2,3)4/h6-9,14H,10-13H2,1-5H3
InChIKeyOPTNLPAWMZYKIW-UHFFFAOYSA-N
XLogP4.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1,3,3-trimethyl-2H-inden-1-yl) 2,2-dimethylpropanoate
CID 129105697
(1-methyl-2,3-dihydroinden-1-yl) 4-ethenylbenzoate
CID 168800146
2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate
CID 10262840
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
1-(2-methoxyphenyl)-4-methylcyclohexan-1-ol
CID 60794785
1-(2-methoxyphenyl)-4-methylcyclohexan-1-amine
CID 60793795
1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
CID 11482317
methyl N-(1-methyl-2,3-dihydroinden-1-yl)carbamate
CID 145156027
[(1R,2aR,7aS)-1-hydroxy-2a-methyl-2,7-dihydro-1H-cyclobuta[a]inden-7a-yl]methyl 2,2-dimethylpropanoate
CID 11514775
(1R)-1-tert-butyl-2,3-dihydroindene-1-carbaldehyde
CID 102391535
1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl chloride
CID 144508012
1-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 114989948

Frequently Asked Questions

What is the IUPAC name of (7,10-dimethyl-6,7,8,9-tetrahydro-5H-benzo[8]annulen-10-yl) 2,2-dimethylpropanoate?
The IUPAC name of (7,10-dimethyl-6,7,8,9-tetrahydro-5H-benzo[8]annulen-10-yl) 2,2-dimethylpropanoate (CID 134170381) is (7,10-dimethyl-6,7,8,9-tetrahydro-5H-benzo[8]annulen-10-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (7,10-dimethyl-6,7,8,9-tetrahydro-5H-benzo[8]annulen-10-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (7,10-dimethyl-6,7,8,9-tetrahydro-5H-benzo[8]annulen-10-yl) 2,2-dimethylpropanoate is CC1CCc2ccccc2C(C)(OC(=O)C(C)(C)C)CC1.
What is the InChIKey of (7,10-dimethyl-6,7,8,9-tetrahydro-5H-benzo[8]annulen-10-yl) 2,2-dimethylpropanoate?
The InChIKey is OPTNLPAWMZYKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-14-10-11-15-8-6-7-9-16(15)19(5,13-12-14)21-17(20)18(2,3)4/h6-9,14H,10-13H2,1-5H3.
What are the key properties of (7,10-dimethyl-6,7,8,9-tetrahydro-5H-benzo[8]annulen-10-yl) 2,2-dimethylpropanoate?
(7,10-dimethyl-6,7,8,9-tetrahydro-5H-benzo[8]annulen-10-yl) 2,2-dimethylpropanoate has a molecular weight of 288.43 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7,10-dimethyl-6,7,8,9-tetrahydro-5H-benzo[8]annulen-10-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 134170381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).