(6S,8S,9R)-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undeca-2,10-dien-4-one

C19H30O3 — CID 11681076

IUPAC(6S,8S,9R)-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undeca-2,10-dien-4-one
SMILESCC1=C[C@@H](C)[C@H](C(C)C)O[C@@]12OC(C(C)C)=C(C)C(=O)C2C
InChIInChI=1S/C19H30O3/c1-10(2)17-12(5)9-13(6)19(21-17)15(8)16(20)14(7)18(22-19)11(3)4/h9-12,15,17H,1-8H3/t12-,15?,17+,19-/m1/s1
InChIKeyHTYQVADZVDZFAG-SVNSMWARSA-N
MW306.45 g/mol
LogP4.49
Rot. Bonds2

About (6S,8S,9R)-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undeca-2,10-dien-4-one

(6S,8S,9R)-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undeca-2,10-dien-4-one (PubChem CID 11681076) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is (6S,8S,9R)-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undeca-2,10-dien-4-one.

Molecular Properties

Compound Name(6S,8S,9R)-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undeca-2,10-dien-4-one
PubChem CID11681076
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name(6S,8S,9R)-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undeca-2,10-dien-4-one
SMILESCC1=C[C@@H](C)[C@H](C(C)C)O[C@@]12OC(C(C)C)=C(C)C(=O)C2C
InChIInChI=1S/C19H30O3/c1-10(2)17-12(5)9-13(6)19(21-17)15(8)16(20)14(7)18(22-19)11(3)4/h9-12,15,17H,1-8H3/t12-,15?,17+,19-/m1/s1
InChIKeyHTYQVADZVDZFAG-SVNSMWARSA-N
XLogP4.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6S,8S,9R)-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undeca-2,10-dien-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S,8S,9R)-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undeca-2,10-dien-4-one?
The IUPAC name of (6S,8S,9R)-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undeca-2,10-dien-4-one (CID 11681076) is (6S,8S,9R)-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undeca-2,10-dien-4-one.
What is the SMILES notation for (6S,8S,9R)-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undeca-2,10-dien-4-one?
The canonical SMILES for (6S,8S,9R)-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undeca-2,10-dien-4-one is CC1=C[C@@H](C)[C@H](C(C)C)O[C@@]12OC(C(C)C)=C(C)C(=O)C2C.
What is the InChIKey of (6S,8S,9R)-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undeca-2,10-dien-4-one?
The InChIKey is HTYQVADZVDZFAG-SVNSMWARSA-N. The full InChI is InChI=1S/C19H30O3/c1-10(2)17-12(5)9-13(6)19(21-17)15(8)16(20)14(7)18(22-19)11(3)4/h9-12,15,17H,1-8H3/t12-,15?,17+,19-/m1/s1.
What are the key properties of (6S,8S,9R)-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undeca-2,10-dien-4-one?
(6S,8S,9R)-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undeca-2,10-dien-4-one has a molecular weight of 306.45 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8S,9R)-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undeca-2,10-dien-4-one is sourced from PubChem (CID 11681076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).