8,11-dimethyl-4a,8,11,11a-tetrahydrocyclohepta[b]naphthalen-5-one

C17H18O — CID 143703315

IUPAC8,11-dimethyl-4a,8,11,11a-tetrahydrocyclohepta[b]naphthalen-5-one
SMILESCC1C=CC2=C(C=C1)C(C)C1C=CC=CC1C2=O
InChIInChI=1S/C17H18O/c1-11-7-9-14-12(2)13-5-3-4-6-15(13)17(18)16(14)10-8-11/h3-13,15H,1-2H3
InChIKeyPWHLIPQUCUWGPA-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.62
Rot. Bonds

About 8,11-dimethyl-4a,8,11,11a-tetrahydrocyclohepta[b]naphthalen-5-one

8,11-dimethyl-4a,8,11,11a-tetrahydrocyclohepta[b]naphthalen-5-one (PubChem CID 143703315) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 8,11-dimethyl-4a,8,11,11a-tetrahydrocyclohepta[b]naphthalen-5-one.

Molecular Properties

Compound Name8,11-dimethyl-4a,8,11,11a-tetrahydrocyclohepta[b]naphthalen-5-one
PubChem CID143703315
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name8,11-dimethyl-4a,8,11,11a-tetrahydrocyclohepta[b]naphthalen-5-one
SMILESCC1C=CC2=C(C=C1)C(C)C1C=CC=CC1C2=O
InChIInChI=1S/C17H18O/c1-11-7-9-14-12(2)13-5-3-4-6-15(13)17(18)16(14)10-8-11/h3-13,15H,1-2H3
InChIKeyPWHLIPQUCUWGPA-UHFFFAOYSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8,11-dimethyl-4a,8,11,11a-tetrahydrocyclohepta[b]naphthalen-5-one;2,2-dimethylpropane
CID 143703314
(2S,3R)-2,3-dimethyl-2,3,3a,7a-tetrahydroinden-1-one
CID 11105670
1,2,3-trimethyl-3a,7a-dihydro-1H-indene
CID 22082629
9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 18783453
8-methyl-8H-cyclohepta[b]naphthalene-5,11-dione
CID 142086620
4-methylcyclohexa-2,5-diene-1-thione
CID 129294481
ethane;5-methylcyclopenta-1,3-diene
CID 91295870
10-methyl-6-[1-(propylamino)ethenylamino]-9a,10-dihydro-4aH-anthracen-9-one
CID 143543177
5,8-dimethyl-4a,9a-dihydroanthracene-9,10-dione
CID 59809381
4a,9a-dihydroanthracene-9,10-dione;ethane
CID 90920478
ethene;5-methylcyclohepta-1,3,6-trien-1-ol
CID 144507325
3,7-dimethyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene
CID 143691783

Frequently Asked Questions

What is the IUPAC name of 8,11-dimethyl-4a,8,11,11a-tetrahydrocyclohepta[b]naphthalen-5-one?
The IUPAC name of 8,11-dimethyl-4a,8,11,11a-tetrahydrocyclohepta[b]naphthalen-5-one (CID 143703315) is 8,11-dimethyl-4a,8,11,11a-tetrahydrocyclohepta[b]naphthalen-5-one.
What is the SMILES notation for 8,11-dimethyl-4a,8,11,11a-tetrahydrocyclohepta[b]naphthalen-5-one?
The canonical SMILES for 8,11-dimethyl-4a,8,11,11a-tetrahydrocyclohepta[b]naphthalen-5-one is CC1C=CC2=C(C=C1)C(C)C1C=CC=CC1C2=O.
What is the InChIKey of 8,11-dimethyl-4a,8,11,11a-tetrahydrocyclohepta[b]naphthalen-5-one?
The InChIKey is PWHLIPQUCUWGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-11-7-9-14-12(2)13-5-3-4-6-15(13)17(18)16(14)10-8-11/h3-13,15H,1-2H3.
What are the key properties of 8,11-dimethyl-4a,8,11,11a-tetrahydrocyclohepta[b]naphthalen-5-one?
8,11-dimethyl-4a,8,11,11a-tetrahydrocyclohepta[b]naphthalen-5-one has a molecular weight of 238.33 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11-dimethyl-4a,8,11,11a-tetrahydrocyclohepta[b]naphthalen-5-one is sourced from PubChem (CID 143703315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).