(4R,4aR)-4-hydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one

C15H22O2 — CID 15109623

IUPAC(4R,4aR)-4-hydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one
SMILESCC1=C2C=C(C(C)C)CC[C@@]2(C)[C@H](O)CC1=O
InChIInChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)12(7-11)10(3)13(16)8-14(15)17/h7,9,14,17H,5-6,8H2,1-4H3/t14-,15-/m1/s1
InChIKeyVYOQFQGGSXEVCX-HUUCEWRRSA-N
MW234.34 g/mol
LogP3.02
Rot. Bonds1

About (4R,4aR)-4-hydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one

(4R,4aR)-4-hydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one (PubChem CID 15109623) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (4R,4aR)-4-hydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one.

Molecular Properties

Compound Name(4R,4aR)-4-hydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one
PubChem CID15109623
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(4R,4aR)-4-hydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one
SMILESCC1=C2C=C(C(C)C)CC[C@@]2(C)[C@H](O)CC1=O
InChIInChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)12(7-11)10(3)13(16)8-14(15)17/h7,9,14,17H,5-6,8H2,1-4H3/t14-,15-/m1/s1
InChIKeyVYOQFQGGSXEVCX-HUUCEWRRSA-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

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Frequently Asked Questions

What is the IUPAC name of (4R,4aR)-4-hydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one?
The IUPAC name of (4R,4aR)-4-hydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one (CID 15109623) is (4R,4aR)-4-hydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one.
What is the SMILES notation for (4R,4aR)-4-hydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one?
The canonical SMILES for (4R,4aR)-4-hydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one is CC1=C2C=C(C(C)C)CC[C@@]2(C)[C@H](O)CC1=O.
What is the InChIKey of (4R,4aR)-4-hydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one?
The InChIKey is VYOQFQGGSXEVCX-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)12(7-11)10(3)13(16)8-14(15)17/h7,9,14,17H,5-6,8H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of (4R,4aR)-4-hydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one?
(4R,4aR)-4-hydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,5,6-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 (4R,4aR)-4-hydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one is sourced from PubChem (CID 15109623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).