(4aS,7R)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one

C15H22O2 — CID 10868238

IUPAC(4aS,7R)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one
SMILESCC1=C2C[C@H](C(C)(C)O)CC[C@@]2(C)C=CC1=O
InChIInChI=1S/C15H22O2/c1-10-12-9-11(14(2,3)17)5-7-15(12,4)8-6-13(10)16/h6,8,11,17H,5,7,9H2,1-4H3/t11-,15+/m1/s1
InChIKeyLANJJAPTVZVEFL-ABAIWWIYSA-N
MW234.34 g/mol
LogP3.02
Rot. Bonds1

About (4aS,7R)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one

(4aS,7R)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one (PubChem CID 10868238) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (4aS,7R)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one.

Molecular Properties

Compound Name(4aS,7R)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one
PubChem CID10868238
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(4aS,7R)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one
SMILESCC1=C2C[C@H](C(C)(C)O)CC[C@@]2(C)C=CC1=O
InChIInChI=1S/C15H22O2/c1-10-12-9-11(14(2,3)17)5-7-15(12,4)8-6-13(10)16/h6,8,11,17H,5,7,9H2,1-4H3/t11-,15+/m1/s1
InChIKeyLANJJAPTVZVEFL-ABAIWWIYSA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aS,7R)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one with MolForge

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Related Compounds

7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 5086419
[1R-(1alpha,4aalpha,7alpha,8abeta)]-4a,5,6,7,8,8a-Hexahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-2(1H)-naphthalenone
CID 15601417
Aubergenone
CID 15601418
Carissone
CID 11770473
Isopterocarpolone
CID 12017635
11-Hydroxyvalenc-1(10)-en-2-one
CID 89960876
(4aR,7S)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 124300457
Eutyscoparin F
CID 164610861
Canusesnol A
CID 11161037
(1S,4aS,7R,8aS)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one
CID 15601419
(1R,4aR,7R,8aS)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one
CID 162974264
Arundinol B
CID 71524402

Frequently Asked Questions

What is the IUPAC name of (4aS,7R)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one?
The IUPAC name of (4aS,7R)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one (CID 10868238) is (4aS,7R)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one.
What is the SMILES notation for (4aS,7R)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one?
The canonical SMILES for (4aS,7R)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one is CC1=C2C[C@H](C(C)(C)O)CC[C@@]2(C)C=CC1=O.
What is the InChIKey of (4aS,7R)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one?
The InChIKey is LANJJAPTVZVEFL-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10-12-9-11(14(2,3)17)5-7-15(12,4)8-6-13(10)16/h6,8,11,17H,5,7,9H2,1-4H3/t11-,15+/m1/s1.
What are the key properties of (4aS,7R)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one?
(4aS,7R)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one has a molecular weight of 234.34 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7R)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one is sourced from PubChem (CID 10868238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).