4a,5,6,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-one

C14H20O — CID 59942605

IUPAC4a,5,6,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-one
SMILESCC1CC(C)C(C)C2(C)C=CC(=O)C=C12
InChIInChI=1S/C14H20O/c1-9-7-10(2)13-8-12(15)5-6-14(13,4)11(9)3/h5-6,8-11H,7H2,1-4H3
InChIKeyTZWDPWOPDZDKCB-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.37
Rot. Bonds

About 4a,5,6,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-one

4a,5,6,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-one (PubChem CID 59942605) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 4a,5,6,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-one.

Molecular Properties

Compound Name4a,5,6,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-one
PubChem CID59942605
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name4a,5,6,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-one
SMILESCC1CC(C)C(C)C2(C)C=CC(=O)C=C12
InChIInChI=1S/C14H20O/c1-9-7-10(2)13-8-12(15)5-6-14(13,4)11(9)3/h5-6,8-11H,7H2,1-4H3
InChIKeyTZWDPWOPDZDKCB-UHFFFAOYSA-N
XLogP3.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4aR)-4a,5,6-trimethyl-5,6,7,8-tetrahydronaphthalen-2-one
CID 15882108
(4bS,10aS,12S)-5-hydroxy-4a,6a,7,12-tetramethyl-5,6,7,8,9,10,10a,10b,11,12-decahydro-4bH-chrysen-2-one
CID 142963680
(6S,8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-17-(2-hydroxyacetyl)-6,10,13,16-tetramethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 18338556
(6S,8S,9S,10R,13S,14S,17S)-17-(2,2-dihydroxyacetyl)-6,10,13-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 154427627
(6S,8S,9R,10R,11S,13S,14R,17R)-17-acetyl-11,17-dihydroxy-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
CID 124514824
(6S,8S,9S,10R,11S,13S,14S,17S)-17-(2,2-dihydroxyacetyl)-11-hydroxy-6,10,13-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 175674763
(6S,9S,14S)-11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 142985073
11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 123833077
(2E)-2-hydroxy-2-[(6S,8S,9S,10R,11S,13S,14S)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]acetaldehyde
CID 138987993
(8S,9S,10R,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13,16-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
CID 57243640
(6S,8S,9S,10R,11R,13R,14R,17S)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
CID 24867268
acetylene;methyl (17S)-11-hydroxy-6,10,13-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-17-carboxylate
CID 143220879

Frequently Asked Questions

What is the IUPAC name of 4a,5,6,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-one?
The IUPAC name of 4a,5,6,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-one (CID 59942605) is 4a,5,6,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-one.
What is the SMILES notation for 4a,5,6,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-one?
The canonical SMILES for 4a,5,6,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-one is CC1CC(C)C(C)C2(C)C=CC(=O)C=C12.
What is the InChIKey of 4a,5,6,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-one?
The InChIKey is TZWDPWOPDZDKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-9-7-10(2)13-8-12(15)5-6-14(13,4)11(9)3/h5-6,8-11H,7H2,1-4H3.
What are the key properties of 4a,5,6,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-one?
4a,5,6,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-one has a molecular weight of 204.31 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,6,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-one is sourced from PubChem (CID 59942605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).