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

C15H24O3 — CID 132500219

IUPAC(1S,2S,4R,5S,7R)-2,7-dihydroxy-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(C)C)C[C@H](O)[C@H]2C
InChIInChI=1S/C15H24O3/c1-8(2)11-6-12(16)10(4)15(11)7-13(17)9(3)5-14(15)18/h5,8,10-13,16-17H,6-7H2,1-4H3/t10-,11-,12+,13-,15-/m1/s1
InChIKeyVXNBSBUJKPFQKE-ZHZXCYKASA-N
MW252.35 g/mol
LogP1.93
Rot. Bonds1

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

(1S,2S,4R,5S,7R)-2,7-dihydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one (PubChem CID 132500219) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (1S,2S,4R,5S,7R)-2,7-dihydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one.

Molecular Properties

Compound Name(1S,2S,4R,5S,7R)-2,7-dihydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one
PubChem CID132500219
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(1S,2S,4R,5S,7R)-2,7-dihydroxy-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(C)C)C[C@H](O)[C@H]2C
InChIInChI=1S/C15H24O3/c1-8(2)11-6-12(16)10(4)15(11)7-13(17)9(3)5-14(15)18/h5,8,10-13,16-17H,6-7H2,1-4H3/t10-,11-,12+,13-,15-/m1/s1
InChIKeyVXNBSBUJKPFQKE-ZHZXCYKASA-N
XLogP1.93
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,5S,7R)-2,7-dihydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one?
The IUPAC name of (1S,2S,4R,5S,7R)-2,7-dihydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one (CID 132500219) is (1S,2S,4R,5S,7R)-2,7-dihydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one.
What is the SMILES notation for (1S,2S,4R,5S,7R)-2,7-dihydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one?
The canonical SMILES for (1S,2S,4R,5S,7R)-2,7-dihydroxy-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(C)C)C[C@H](O)[C@H]2C.
What is the InChIKey of (1S,2S,4R,5S,7R)-2,7-dihydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one?
The InChIKey is VXNBSBUJKPFQKE-ZHZXCYKASA-N. The full InChI is InChI=1S/C15H24O3/c1-8(2)11-6-12(16)10(4)15(11)7-13(17)9(3)5-14(15)18/h5,8,10-13,16-17H,6-7H2,1-4H3/t10-,11-,12+,13-,15-/m1/s1.
What are the key properties of (1S,2S,4R,5S,7R)-2,7-dihydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one?
(1S,2S,4R,5S,7R)-2,7-dihydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one has a molecular weight of 252.35 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,5S,7R)-2,7-dihydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-en-10-one is sourced from PubChem (CID 132500219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).