4-hydroxy-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one

C19H30O4 — CID 593343

IUPAC4-hydroxy-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one
SMILESCC1CCC(C(C)C)C2(C1)OC(=O)C1C3CC(O)CC3C1(C)O2
InChIInChI=1S/C19H30O4/c1-10(2)14-6-5-11(3)9-19(14)22-17(21)16-13-7-12(20)8-15(13)18(16,4)23-19/h10-16,20H,5-9H2,1-4H3
InChIKeyRKHGZLNLFSLJRN-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.12
Rot. Bonds1

About 4-hydroxy-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one

4-hydroxy-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one (PubChem CID 593343) has the molecular formula C19H30O4 and a molecular weight of 322.45 g/mol. Its IUPAC name is 4-hydroxy-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one.

Molecular Properties

Compound Name4-hydroxy-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one
PubChem CID593343
Molecular FormulaC19H30O4
Molecular Weight322.45 g/mol
Exact Mass322.21
IUPAC Name4-hydroxy-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one
SMILESCC1CCC(C(C)C)C2(C1)OC(=O)C1C3CC(O)CC3C1(C)O2
InChIInChI=1S/C19H30O4/c1-10(2)14-6-5-11(3)9-19(14)22-17(21)16-13-7-12(20)8-15(13)18(16,4)23-19/h10-16,20H,5-9H2,1-4H3
InChIKeyRKHGZLNLFSLJRN-UHFFFAOYSA-N
XLogP3.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one with MolForge

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Related Compounds

2,9-dimethyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-one
CID 68641707
5-(2-methoxyethoxymethoxy)-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one
CID 560606
7-methyl-4-propan-2-yl-1,2-dioxaspiro[2.5]octane
CID 15728160
(5R,6S,9R)-3,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]decan-2-one
CID 45097863
3',7-dimethylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one
CID 559197
(4R,5R,7S,8S,11R)-4-(2,2-dichloroethyl)-11-methyl-8-propan-2-yl-6,13-dioxadispiro[4.1.57.35]pentadecan-14-one
CID 10523628
2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]decan-4-one
CID 574556
(6R,8R,11S)-2-but-3-enyl-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 10564569
(6R,8R,11S)-3-but-3-enyl-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 14641476
(6S,8R,11S)-8-methyl-11-propan-2-yl-2-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 10984044
(6S,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undecan-2-one
CID 45097864
ethane;1-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexane
CID 171106643

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one?
The IUPAC name of 4-hydroxy-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one (CID 593343) is 4-hydroxy-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one.
What is the SMILES notation for 4-hydroxy-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one?
The canonical SMILES for 4-hydroxy-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one is CC1CCC(C(C)C)C2(C1)OC(=O)C1C3CC(O)CC3C1(C)O2.
What is the InChIKey of 4-hydroxy-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one?
The InChIKey is RKHGZLNLFSLJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O4/c1-10(2)14-6-5-11(3)9-19(14)22-17(21)16-13-7-12(20)8-15(13)18(16,4)23-19/h10-16,20H,5-9H2,1-4H3.
What are the key properties of 4-hydroxy-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one?
4-hydroxy-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one has a molecular weight of 322.45 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one is sourced from PubChem (CID 593343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).