(2S,4R,5R,6S,7R)-4,7-dihydroxy-6,10-dimethyl-2-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one

C15H22O3 — CID 10610694

IUPAC(2S,4R,5R,6S,7R)-4,7-dihydroxy-6,10-dimethyl-2-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
SMILESC=C(C)[C@@H]1C[C@@H](O)[C@@]2(C1)C(C)=CC(=O)[C@H](O)[C@H]2C
InChIInChI=1S/C15H22O3/c1-8(2)11-6-13(17)15(7-11)9(3)5-12(16)14(18)10(15)4/h5,10-11,13-14,17-18H,1,6-7H2,2-4H3/t10-,11-,13-,14-,15+/m1/s1
InChIKeyBLDKDCBSDHBTFV-BBIZWXPBSA-N
MW250.34 g/mol
LogP1.85
Rot. Bonds1

About (2S,4R,5R,6S,7R)-4,7-dihydroxy-6,10-dimethyl-2-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one

(2S,4R,5R,6S,7R)-4,7-dihydroxy-6,10-dimethyl-2-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one (PubChem CID 10610694) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2S,4R,5R,6S,7R)-4,7-dihydroxy-6,10-dimethyl-2-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one.

Molecular Properties

Compound Name(2S,4R,5R,6S,7R)-4,7-dihydroxy-6,10-dimethyl-2-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
PubChem CID10610694
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(2S,4R,5R,6S,7R)-4,7-dihydroxy-6,10-dimethyl-2-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
SMILESC=C(C)[C@@H]1C[C@@H](O)[C@@]2(C1)C(C)=CC(=O)[C@H](O)[C@H]2C
InChIInChI=1S/C15H22O3/c1-8(2)11-6-13(17)15(7-11)9(3)5-12(16)14(18)10(15)4/h5,10-11,13-14,17-18H,1,6-7H2,2-4H3/t10-,11-,13-,14-,15+/m1/s1
InChIKeyBLDKDCBSDHBTFV-BBIZWXPBSA-N
XLogP1.85
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R,6S,7R)-4,7-dihydroxy-6,10-dimethyl-2-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one?
The IUPAC name of (2S,4R,5R,6S,7R)-4,7-dihydroxy-6,10-dimethyl-2-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one (CID 10610694) is (2S,4R,5R,6S,7R)-4,7-dihydroxy-6,10-dimethyl-2-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one.
What is the SMILES notation for (2S,4R,5R,6S,7R)-4,7-dihydroxy-6,10-dimethyl-2-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one?
The canonical SMILES for (2S,4R,5R,6S,7R)-4,7-dihydroxy-6,10-dimethyl-2-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one is C=C(C)[C@@H]1C[C@@H](O)[C@@]2(C1)C(C)=CC(=O)[C@H](O)[C@H]2C.
What is the InChIKey of (2S,4R,5R,6S,7R)-4,7-dihydroxy-6,10-dimethyl-2-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one?
The InChIKey is BLDKDCBSDHBTFV-BBIZWXPBSA-N. The full InChI is InChI=1S/C15H22O3/c1-8(2)11-6-13(17)15(7-11)9(3)5-12(16)14(18)10(15)4/h5,10-11,13-14,17-18H,1,6-7H2,2-4H3/t10-,11-,13-,14-,15+/m1/s1.
What are the key properties of (2S,4R,5R,6S,7R)-4,7-dihydroxy-6,10-dimethyl-2-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one?
(2S,4R,5R,6S,7R)-4,7-dihydroxy-6,10-dimethyl-2-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one has a molecular weight of 250.34 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R,6S,7R)-4,7-dihydroxy-6,10-dimethyl-2-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one is sourced from PubChem (CID 10610694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).