(4bS)-4b,8,8-trimethyl-3,4,4a,5,6,7-hexahydrofluoren-2-one

C16H22O — CID 11528741

IUPAC(4bS)-4b,8,8-trimethyl-3,4,4a,5,6,7-hexahydrofluoren-2-one
SMILESCC1(C)CCC[C@]2(C)C1=CC1=CC(=O)CCC12
InChIInChI=1S/C16H22O/c1-15(2)7-4-8-16(3)13-6-5-12(17)9-11(13)10-14(15)16/h9-10,13H,4-8H2,1-3H3/t13?,16-/m0/s1
InChIKeyIEOHHNPYBKIEMP-VYIIXAMBSA-N
MW230.35 g/mol
LogP4.05
Rot. Bonds

About (4bS)-4b,8,8-trimethyl-3,4,4a,5,6,7-hexahydrofluoren-2-one

(4bS)-4b,8,8-trimethyl-3,4,4a,5,6,7-hexahydrofluoren-2-one (PubChem CID 11528741) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (4bS)-4b,8,8-trimethyl-3,4,4a,5,6,7-hexahydrofluoren-2-one.

Molecular Properties

Compound Name(4bS)-4b,8,8-trimethyl-3,4,4a,5,6,7-hexahydrofluoren-2-one
PubChem CID11528741
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(4bS)-4b,8,8-trimethyl-3,4,4a,5,6,7-hexahydrofluoren-2-one
SMILESCC1(C)CCC[C@]2(C)C1=CC1=CC(=O)CCC12
InChIInChI=1S/C16H22O/c1-15(2)7-4-8-16(3)13-6-5-12(17)9-11(13)10-14(15)16/h9-10,13H,4-8H2,1-3H3/t13?,16-/m0/s1
InChIKeyIEOHHNPYBKIEMP-VYIIXAMBSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4a,8,8-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one
CID 4196639
8,8-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-one
CID 14712623
1,5,5,8a-tetramethyl-3,6,7,8-tetrahydro-1H-naphthalen-2-one
CID 91239779
(4aR,4bR,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-4,4a,5,6,7,8a-hexahydro-3H-phenanthren-2-one
CID 163114690
8-(hydroxymethyl)-4b,8-dimethyl-4,4a,5,6,7,8a-hexahydro-3H-phenanthren-2-one
CID 163114689
(4bS,8S,8aS,10aS)-8-(hydroxymethyl)-4b,8-dimethyl-2,5,6,7,8a,9,10,10a-octahydro-1H-phenanthren-3-one
CID 98521291
3-cyclobutyl-4,4-dimethylcyclohex-2-en-1-one
CID 18320201
(1R,2R,10S)-2,6,6,10-tetramethyl-9,13-dioxatricyclo[8.2.1.02,7]tridec-7-ene
CID 11107360
(4aR,5R)-4a,5-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 12704992
(4aS,8S)-4a,8-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 6428338
(2R,8aR)-2,5,5,8a-tetramethyl-3,6,7,8-tetrahydro-2H-naphthalen-1-one
CID 68532501
5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-naphthalen-2-one
CID 14415787

Frequently Asked Questions

What is the IUPAC name of (4bS)-4b,8,8-trimethyl-3,4,4a,5,6,7-hexahydrofluoren-2-one?
The IUPAC name of (4bS)-4b,8,8-trimethyl-3,4,4a,5,6,7-hexahydrofluoren-2-one (CID 11528741) is (4bS)-4b,8,8-trimethyl-3,4,4a,5,6,7-hexahydrofluoren-2-one.
What is the SMILES notation for (4bS)-4b,8,8-trimethyl-3,4,4a,5,6,7-hexahydrofluoren-2-one?
The canonical SMILES for (4bS)-4b,8,8-trimethyl-3,4,4a,5,6,7-hexahydrofluoren-2-one is CC1(C)CCC[C@]2(C)C1=CC1=CC(=O)CCC12.
What is the InChIKey of (4bS)-4b,8,8-trimethyl-3,4,4a,5,6,7-hexahydrofluoren-2-one?
The InChIKey is IEOHHNPYBKIEMP-VYIIXAMBSA-N. The full InChI is InChI=1S/C16H22O/c1-15(2)7-4-8-16(3)13-6-5-12(17)9-11(13)10-14(15)16/h9-10,13H,4-8H2,1-3H3/t13?,16-/m0/s1.
What are the key properties of (4bS)-4b,8,8-trimethyl-3,4,4a,5,6,7-hexahydrofluoren-2-one?
(4bS)-4b,8,8-trimethyl-3,4,4a,5,6,7-hexahydrofluoren-2-one has a molecular weight of 230.35 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4bS)-4b,8,8-trimethyl-3,4,4a,5,6,7-hexahydrofluoren-2-one is sourced from PubChem (CID 11528741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).