(1R,4R,5R,7R)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one

C15H24O2 — CID 132500220

IUPAC(1R,4R,5R,7R)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one
SMILESCC1=CC(=O)[C@]2(C[C@H]1O)[C@H](C)CC[C@@H]2C(C)C
InChIInChI=1S/C15H24O2/c1-9(2)12-6-5-11(4)15(12)8-13(16)10(3)7-14(15)17/h7,9,11-13,16H,5-6,8H2,1-4H3/t11-,12-,13-,15-/m1/s1
InChIKeyXOAZRNUUCGPXHS-RGCMKSIDSA-N
MW236.35 g/mol
LogP2.95
Rot. Bonds1

About (1R,4R,5R,7R)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one

(1R,4R,5R,7R)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one (PubChem CID 132500220) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1R,4R,5R,7R)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one.

Molecular Properties

Compound Name(1R,4R,5R,7R)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one
PubChem CID132500220
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1R,4R,5R,7R)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one
SMILESCC1=CC(=O)[C@]2(C[C@H]1O)[C@H](C)CC[C@@H]2C(C)C
InChIInChI=1S/C15H24O2/c1-9(2)12-6-5-11(4)15(12)8-13(16)10(3)7-14(15)17/h7,9,11-13,16H,5-6,8H2,1-4H3/t11-,12-,13-,15-/m1/s1
InChIKeyXOAZRNUUCGPXHS-RGCMKSIDSA-N
XLogP2.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R,7R)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one?
The IUPAC name of (1R,4R,5R,7R)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one (CID 132500220) is (1R,4R,5R,7R)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one.
What is the SMILES notation for (1R,4R,5R,7R)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one?
The canonical SMILES for (1R,4R,5R,7R)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one is CC1=CC(=O)[C@]2(C[C@H]1O)[C@H](C)CC[C@@H]2C(C)C.
What is the InChIKey of (1R,4R,5R,7R)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one?
The InChIKey is XOAZRNUUCGPXHS-RGCMKSIDSA-N. The full InChI is InChI=1S/C15H24O2/c1-9(2)12-6-5-11(4)15(12)8-13(16)10(3)7-14(15)17/h7,9,11-13,16H,5-6,8H2,1-4H3/t11-,12-,13-,15-/m1/s1.
What are the key properties of (1R,4R,5R,7R)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one?
(1R,4R,5R,7R)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one has a molecular weight of 236.35 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R,7R)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one is sourced from PubChem (CID 132500220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).