(4aS)-3-hydroxy-1,4a-dimethyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one

C15H20O2 — CID 132544552

IUPAC(4aS)-3-hydroxy-1,4a-dimethyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one
SMILESCC1=C2C=C(C(C)C)CC[C@@]2(C)C=C(O)C1=O
InChIInChI=1S/C15H20O2/c1-9(2)11-5-6-15(4)8-13(16)14(17)10(3)12(15)7-11/h7-9,16H,5-6H2,1-4H3/t15-/m0/s1
InChIKeyDVKAVTQMUMAKMT-HNNXBMFYSA-N
MW232.32 g/mol
LogP3.71
Rot. Bonds1

About (4aS)-3-hydroxy-1,4a-dimethyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one

(4aS)-3-hydroxy-1,4a-dimethyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one (PubChem CID 132544552) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (4aS)-3-hydroxy-1,4a-dimethyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one.

Molecular Properties

Compound Name(4aS)-3-hydroxy-1,4a-dimethyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one
PubChem CID132544552
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(4aS)-3-hydroxy-1,4a-dimethyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one
SMILESCC1=C2C=C(C(C)C)CC[C@@]2(C)C=C(O)C1=O
InChIInChI=1S/C15H20O2/c1-9(2)11-5-6-15(4)8-13(16)14(17)10(3)12(15)7-11/h7-9,16H,5-6H2,1-4H3/t15-/m0/s1
InChIKeyDVKAVTQMUMAKMT-HNNXBMFYSA-N
XLogP3.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4aS)-3-hydroxy-1,4a-dimethyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one?
The IUPAC name of (4aS)-3-hydroxy-1,4a-dimethyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one (CID 132544552) is (4aS)-3-hydroxy-1,4a-dimethyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one.
What is the SMILES notation for (4aS)-3-hydroxy-1,4a-dimethyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one?
The canonical SMILES for (4aS)-3-hydroxy-1,4a-dimethyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one is CC1=C2C=C(C(C)C)CC[C@@]2(C)C=C(O)C1=O.
What is the InChIKey of (4aS)-3-hydroxy-1,4a-dimethyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one?
The InChIKey is DVKAVTQMUMAKMT-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20O2/c1-9(2)11-5-6-15(4)8-13(16)14(17)10(3)12(15)7-11/h7-9,16H,5-6H2,1-4H3/t15-/m0/s1.
What are the key properties of (4aS)-3-hydroxy-1,4a-dimethyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one?
(4aS)-3-hydroxy-1,4a-dimethyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one has a molecular weight of 232.32 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS)-3-hydroxy-1,4a-dimethyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one is sourced from PubChem (CID 132544552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).