(4R,6S,8S,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-one

C14H22O4 — CID 102119415

IUPAC(4R,6S,8S,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-one
SMILESC[C@@H]1CCC[C@]2(CC[C@]3(O[C@@H](C)CCC3=O)O2)O1
InChIInChI=1S/C14H22O4/c1-10-4-3-7-13(16-10)8-9-14(18-13)12(15)6-5-11(2)17-14/h10-11H,3-9H2,1-2H3/t10-,11+,13+,14+/m1/s1
InChIKeyZASFDTGKCHLRQW-XWUBHJNHSA-N
MW254.33 g/mol
LogP2.55
Rot. Bonds

About (4R,6S,8S,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-one

(4R,6S,8S,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-one (PubChem CID 102119415) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is (4R,6S,8S,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-one.

Molecular Properties

Compound Name(4R,6S,8S,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-one
PubChem CID102119415
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name(4R,6S,8S,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-one
SMILESC[C@@H]1CCC[C@]2(CC[C@]3(O[C@@H](C)CCC3=O)O2)O1
InChIInChI=1S/C14H22O4/c1-10-4-3-7-13(16-10)8-9-14(18-13)12(15)6-5-11(2)17-14/h10-11H,3-9H2,1-2H3/t10-,11+,13+,14+/m1/s1
InChIKeyZASFDTGKCHLRQW-XWUBHJNHSA-N
XLogP2.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R,6S,8S,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-one with MolForge

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Related Compounds

(4S,6R,8R,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane
CID 139254043
(2S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one
CID 10997977
(6S,8R,10S)-10-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane
CID 139254042
(2R,6S,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one
CID 11820501
(2S,3R,5S,9R)-2,3,9-trimethyl-1,10-dioxaspiro[4.5]decane
CID 10845202
(2S,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane
CID 10888892
(2R,4aS)-2,4a-dimethyl-2,3,4,6,7,7a-hexahydrocyclopenta[b]pyran-5-one
CID 143295231
(2S,4S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol
CID 11769525
(2R,5R,7R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane
CID 13364433
(2S,5R,6R,8S)-5-bromo-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane
CID 10332947
(4S,5R,7S)-4,7-dimethyl-6-oxaspiro[4.5]decane
CID 102399716
1-(2-hydroxy-6-methyloxan-2-yl)-2-methylpropan-1-one
CID 155264401

Frequently Asked Questions

What is the IUPAC name of (4R,6S,8S,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-one?
The IUPAC name of (4R,6S,8S,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-one (CID 102119415) is (4R,6S,8S,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-one.
What is the SMILES notation for (4R,6S,8S,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-one?
The canonical SMILES for (4R,6S,8S,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-one is C[C@@H]1CCC[C@]2(CC[C@]3(O[C@@H](C)CCC3=O)O2)O1.
What is the InChIKey of (4R,6S,8S,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-one?
The InChIKey is ZASFDTGKCHLRQW-XWUBHJNHSA-N. The full InChI is InChI=1S/C14H22O4/c1-10-4-3-7-13(16-10)8-9-14(18-13)12(15)6-5-11(2)17-14/h10-11H,3-9H2,1-2H3/t10-,11+,13+,14+/m1/s1.
What are the key properties of (4R,6S,8S,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-one?
(4R,6S,8S,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-one has a molecular weight of 254.33 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S,8S,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-one is sourced from PubChem (CID 102119415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).