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

C18H30O4 — CID 10804916

IUPAC(4S,6S,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-IFCWYPFCSA-N
MW310.43 g/mol
LogP3.68
Rot. Bonds2

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

(4S,6S,8R,11R)-4,11-dimethyl-4-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one (PubChem CID 10804916) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is (4S,6S,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(4S,6S,8R,11R)-4,11-dimethyl-4-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one
PubChem CID10804916
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name(4S,6S,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-IFCWYPFCSA-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 (4S,6S,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

Frequently Asked Questions

What is the IUPAC name of (4S,6S,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 (4S,6S,8R,11R)-4,11-dimethyl-4-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one (CID 10804916) is (4S,6S,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 (4S,6S,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 (4S,6S,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 (4S,6S,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-IFCWYPFCSA-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 (4S,6S,8R,11R)-4,11-dimethyl-4-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one?
(4S,6S,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 (4S,6S,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 10804916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).