(2R,6R,9R)-9-methoxy-2-(phenylmethoxymethyl)-1,7-dioxaspiro[5.5]undecan-4-one

C18H24O5 — CID 11659756

IUPAC(2R,6R,9R)-9-methoxy-2-(phenylmethoxymethyl)-1,7-dioxaspiro[5.5]undecan-4-one
SMILESCO[C@@H]1CC[C@@]2(CC(=O)C[C@H](COCc3ccccc3)O2)OC1
InChIInChI=1S/C18H24O5/c1-20-16-7-8-18(22-13-16)10-15(19)9-17(23-18)12-21-11-14-5-3-2-4-6-14/h2-6,16-17H,7-13H2,1H3/t16-,17-,18-/m1/s1
InChIKeyVOUYCOHTSLGISQ-KZNAEPCWSA-N
MW320.38 g/mol
LogP2.47
Rot. Bonds5

About (2R,6R,9R)-9-methoxy-2-(phenylmethoxymethyl)-1,7-dioxaspiro[5.5]undecan-4-one

(2R,6R,9R)-9-methoxy-2-(phenylmethoxymethyl)-1,7-dioxaspiro[5.5]undecan-4-one (PubChem CID 11659756) has the molecular formula C18H24O5 and a molecular weight of 320.38 g/mol. Its IUPAC name is (2R,6R,9R)-9-methoxy-2-(phenylmethoxymethyl)-1,7-dioxaspiro[5.5]undecan-4-one.

Molecular Properties

Compound Name(2R,6R,9R)-9-methoxy-2-(phenylmethoxymethyl)-1,7-dioxaspiro[5.5]undecan-4-one
PubChem CID11659756
Molecular FormulaC18H24O5
Molecular Weight320.38 g/mol
Exact Mass320.16
IUPAC Name(2R,6R,9R)-9-methoxy-2-(phenylmethoxymethyl)-1,7-dioxaspiro[5.5]undecan-4-one
SMILESCO[C@@H]1CC[C@@]2(CC(=O)C[C@H](COCc3ccccc3)O2)OC1
InChIInChI=1S/C18H24O5/c1-20-16-7-8-18(22-13-16)10-15(19)9-17(23-18)12-21-11-14-5-3-2-4-6-14/h2-6,16-17H,7-13H2,1H3/t16-,17-,18-/m1/s1
InChIKeyVOUYCOHTSLGISQ-KZNAEPCWSA-N
XLogP2.47
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R,6R,9R)-9-methoxy-2-(phenylmethoxymethyl)-1,7-dioxaspiro[5.5]undecan-4-one with MolForge

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Related Compounds

(2S,8S)-2,8-bis(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecane-4,10-dione
CID 10671347
(5S)-5-(phenylmethoxymethyl)oxolan-3-one
CID 168857190
(7S)-2,2-dimethyl-7-(phenylmethoxymethyl)-4,7,8,8a-tetrahydro-3aH-[1,3]dioxolo[4,5-d]oxepin-5-one
CID 44605808
[(2S,6S,8S)-4-oxo-2-(phenylmethoxymethyl)-1,7-dioxaspiro[5.5]undecan-8-yl]methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
CID 11679201
3,3-dimethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 10989192
(2S,3S,6S)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-one
CID 11302737
3-(phenylmethoxymethyl)cyclobutan-1-one
CID 11819850
ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane
CID 143382520
[(7R,8R)-7-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol
CID 25130205
oxolane;(2R)-2-(phenylmethoxymethyl)oxirane
CID 175076963
(3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 10680435
3-methyl-2-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol
CID 150125273

Frequently Asked Questions

What is the IUPAC name of (2R,6R,9R)-9-methoxy-2-(phenylmethoxymethyl)-1,7-dioxaspiro[5.5]undecan-4-one?
The IUPAC name of (2R,6R,9R)-9-methoxy-2-(phenylmethoxymethyl)-1,7-dioxaspiro[5.5]undecan-4-one (CID 11659756) is (2R,6R,9R)-9-methoxy-2-(phenylmethoxymethyl)-1,7-dioxaspiro[5.5]undecan-4-one.
What is the SMILES notation for (2R,6R,9R)-9-methoxy-2-(phenylmethoxymethyl)-1,7-dioxaspiro[5.5]undecan-4-one?
The canonical SMILES for (2R,6R,9R)-9-methoxy-2-(phenylmethoxymethyl)-1,7-dioxaspiro[5.5]undecan-4-one is CO[C@@H]1CC[C@@]2(CC(=O)C[C@H](COCc3ccccc3)O2)OC1.
What is the InChIKey of (2R,6R,9R)-9-methoxy-2-(phenylmethoxymethyl)-1,7-dioxaspiro[5.5]undecan-4-one?
The InChIKey is VOUYCOHTSLGISQ-KZNAEPCWSA-N. The full InChI is InChI=1S/C18H24O5/c1-20-16-7-8-18(22-13-16)10-15(19)9-17(23-18)12-21-11-14-5-3-2-4-6-14/h2-6,16-17H,7-13H2,1H3/t16-,17-,18-/m1/s1.
What are the key properties of (2R,6R,9R)-9-methoxy-2-(phenylmethoxymethyl)-1,7-dioxaspiro[5.5]undecan-4-one?
(2R,6R,9R)-9-methoxy-2-(phenylmethoxymethyl)-1,7-dioxaspiro[5.5]undecan-4-one has a molecular weight of 320.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R,9R)-9-methoxy-2-(phenylmethoxymethyl)-1,7-dioxaspiro[5.5]undecan-4-one is sourced from PubChem (CID 11659756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).