(4R,6R,8R,11R)-4,11-dimethyl-4-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one

C18H30O4 — CID 10495177

IUPAC(4R,6R,8R,11R)-4,11-dimethyl-4-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one
SMILESCC(C)[C@@H]1CC[C@@H](C)[C@@]2(C1)OC(=O)C[C@](C)([C@H]1CCCO1)O2
InChIInChI=1S/C18H30O4/c1-12(2)14-8-7-13(3)18(10-14)21-16(19)11-17(4,22-18)15-6-5-9-20-15/h12-15H,5-11H2,1-4H3/t13-,14-,15-,17-,18+/m1/s1
InChIKeyIQHOAWNOYPUAES-RKYPPNDESA-N
MW310.43 g/mol
LogP3.68
Rot. Bonds2

About (4R,6R,8R,11R)-4,11-dimethyl-4-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one

(4R,6R,8R,11R)-4,11-dimethyl-4-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one (PubChem CID 10495177) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is (4R,6R,8R,11R)-4,11-dimethyl-4-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(4R,6R,8R,11R)-4,11-dimethyl-4-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one
PubChem CID10495177
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name(4R,6R,8R,11R)-4,11-dimethyl-4-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one
SMILESCC(C)[C@@H]1CC[C@@H](C)[C@@]2(C1)OC(=O)C[C@](C)([C@H]1CCCO1)O2
InChIInChI=1S/C18H30O4/c1-12(2)14-8-7-13(3)18(10-14)21-16(19)11-17(4,22-18)15-6-5-9-20-15/h12-15H,5-11H2,1-4H3/t13-,14-,15-,17-,18+/m1/s1
InChIKeyIQHOAWNOYPUAES-RKYPPNDESA-N
XLogP3.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R,6R,8R,11R)-4,11-dimethyl-4-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

phyllaemblic acid C
CID 10914547
3,4'-Dihydroxy-3,5'-bis(hydroxymethyl)spiro[3a,4,5,6,7,7a-hexahydro-1-benzofuran-2,2'-oxane]-6-carboxylic acid
CID 85313607
Descinnanoylphyllanthocindiol
CID 125534
(4S,6R,8R,11S)-4-(1,3-dioxolan-2-yl)-4,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one
CID 21591026
(2S,6S,8R,11S)-2-(1,3-dioxolan-2-yl)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one
CID 23244058
(6R,8S,9S,12R)-12-methyl-9-propan-2-yl-1,4,7,14-tetraoxatrispiro[4.0.1.58.36.35]nonadecan-15-one
CID 23244061
(3aS,6R,7aR)-6-(2,2-dimethyl-1,3-dioxan-5-yl)-2,2,3a-trimethyl-4,6,7,7a-tetrahydro-1,3-benzodioxol-5-one
CID 134864307
methyl (1R,5S,6R)-1-ethoxy-5-methyl-8-oxabicyclo[3.2.1]octane-6-carboxylate
CID 135021112
(1r,2r)-2-((r)-8-Oxo-1,4,7-trioxaspiro[4.5]decan-9-yl)-cyclohexyl acetate
CID 138757017
ethyl (2S,3R,4R)-4-cyclohexyl-2,8,8-trimethyl-6,10-dioxo-1,7,9-trioxaspiro[4.5]decane-3-carboxylate
CID 139050153
dimethyl 2-[(2R,3R,7R)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate
CID 10661939
tert-butyl (1S,5R,9S)-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dioxo-2-oxabicyclo[3.3.1]nonane-5-carboxylate
CID 15342724

Frequently Asked Questions

What is the IUPAC name of (4R,6R,8R,11R)-4,11-dimethyl-4-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one?
The IUPAC name of (4R,6R,8R,11R)-4,11-dimethyl-4-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one (CID 10495177) is (4R,6R,8R,11R)-4,11-dimethyl-4-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one.
What is the SMILES notation for (4R,6R,8R,11R)-4,11-dimethyl-4-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one?
The canonical SMILES for (4R,6R,8R,11R)-4,11-dimethyl-4-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one is CC(C)[C@@H]1CC[C@@H](C)[C@@]2(C1)OC(=O)C[C@](C)([C@H]1CCCO1)O2.
What is the InChIKey of (4R,6R,8R,11R)-4,11-dimethyl-4-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one?
The InChIKey is IQHOAWNOYPUAES-RKYPPNDESA-N. The full InChI is InChI=1S/C18H30O4/c1-12(2)14-8-7-13(3)18(10-14)21-16(19)11-17(4,22-18)15-6-5-9-20-15/h12-15H,5-11H2,1-4H3/t13-,14-,15-,17-,18+/m1/s1.
What are the key properties of (4R,6R,8R,11R)-4,11-dimethyl-4-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one?
(4R,6R,8R,11R)-4,11-dimethyl-4-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one has a molecular weight of 310.43 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R,8R,11R)-4,11-dimethyl-4-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one is sourced from PubChem (CID 10495177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).