(6S)-2,3,10-trimethoxy-6-methyl-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione

C17H24O5 — CID 102153608

IUPAC(6S)-2,3,10-trimethoxy-6-methyl-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione
SMILESCOC1=C(OC)C(=O)C2(C1=O)C(OC)=C(C(C)C)CC[C@@H]2C
InChIInChI=1S/C17H24O5/c1-9(2)11-8-7-10(3)17(16(11)22-6)14(18)12(20-4)13(21-5)15(17)19/h9-10H,7-8H2,1-6H3/t10-/m0/s1
InChIKeyUEPVUYHPFBNWEZ-JTQLQIEISA-N
MW308.37 g/mol
LogP2.62
Rot. Bonds4

About (6S)-2,3,10-trimethoxy-6-methyl-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione

(6S)-2,3,10-trimethoxy-6-methyl-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione (PubChem CID 102153608) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is (6S)-2,3,10-trimethoxy-6-methyl-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione.

Molecular Properties

Compound Name(6S)-2,3,10-trimethoxy-6-methyl-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione
PubChem CID102153608
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Name(6S)-2,3,10-trimethoxy-6-methyl-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione
SMILESCOC1=C(OC)C(=O)C2(C1=O)C(OC)=C(C(C)C)CC[C@@H]2C
InChIInChI=1S/C17H24O5/c1-9(2)11-8-7-10(3)17(16(11)22-6)14(18)12(20-4)13(21-5)15(17)19/h9-10H,7-8H2,1-6H3/t10-/m0/s1
InChIKeyUEPVUYHPFBNWEZ-JTQLQIEISA-N
XLogP2.62
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(5-Ethyl-4,5-dimethyldecan-2-yl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 167004857
(5S,6R)-10-methoxy-2,6-dimethyl-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione
CID 16007174
(3aS,7aR)-5,6-dimethoxy-7a-(methoxymethyl)-1,2,3,3a-tetrahydroindene-4,7-dione
CID 16007178
2,3,10-Trimethoxyspiro[4.5]deca-2,9-diene-1,4-dione
CID 86101275
9-Tert-butyl-2,3,10-trimethoxyspiro[4.5]deca-2,9-diene-1,4-dione
CID 102153603
(6R)-2,3,10-trimethoxy-6-methyl-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione
CID 102153607
(6R)-10-methoxy-2,6-dimethyl-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione
CID 102153610

Frequently Asked Questions

What is the IUPAC name of (6S)-2,3,10-trimethoxy-6-methyl-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione?
The IUPAC name of (6S)-2,3,10-trimethoxy-6-methyl-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione (CID 102153608) is (6S)-2,3,10-trimethoxy-6-methyl-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione.
What is the SMILES notation for (6S)-2,3,10-trimethoxy-6-methyl-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione?
The canonical SMILES for (6S)-2,3,10-trimethoxy-6-methyl-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione is COC1=C(OC)C(=O)C2(C1=O)C(OC)=C(C(C)C)CC[C@@H]2C.
What is the InChIKey of (6S)-2,3,10-trimethoxy-6-methyl-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione?
The InChIKey is UEPVUYHPFBNWEZ-JTQLQIEISA-N. The full InChI is InChI=1S/C17H24O5/c1-9(2)11-8-7-10(3)17(16(11)22-6)14(18)12(20-4)13(21-5)15(17)19/h9-10H,7-8H2,1-6H3/t10-/m0/s1.
What are the key properties of (6S)-2,3,10-trimethoxy-6-methyl-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione?
(6S)-2,3,10-trimethoxy-6-methyl-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione has a molecular weight of 308.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,3,10-trimethoxy-6-methyl-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione is sourced from PubChem (CID 102153608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).