(6S,8R,10S)-10-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane

C13H22O3 — CID 139254042

IUPAC(6S,8R,10S)-10-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane
SMILESC[C@H]1CCC[C@@]2(CC[C@]3(CCCCO3)O2)O1
InChIInChI=1S/C13H22O3/c1-11-5-4-7-13(15-11)9-8-12(16-13)6-2-3-10-14-12/h11H,2-10H2,1H3/t11-,12-,13+/m0/s1
InChIKeyXXFLPVXECUKZCV-RWMBFGLXSA-N
MW226.32 g/mol
LogP2.98
Rot. Bonds

About (6S,8R,10S)-10-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane

(6S,8R,10S)-10-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane (PubChem CID 139254042) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is (6S,8R,10S)-10-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane.

Molecular Properties

Compound Name(6S,8R,10S)-10-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane
PubChem CID139254042
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name(6S,8R,10S)-10-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane
SMILESC[C@H]1CCC[C@@]2(CC[C@]3(CCCCO3)O2)O1
InChIInChI=1S/C13H22O3/c1-11-5-4-7-13(15-11)9-8-12(16-13)6-2-3-10-14-12/h11H,2-10H2,1H3/t11-,12-,13+/m0/s1
InChIKeyXXFLPVXECUKZCV-RWMBFGLXSA-N
XLogP2.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
(2S,3R,5S,9R)-2,3,9-trimethyl-1,10-dioxaspiro[4.5]decane
CID 10845202
(4R,6S,8S,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-one
CID 102119415
(2S,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane
CID 10888892
4,9-dioxaspiro[2.6]nonane
CID 68651979
(2S,4S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol
CID 11769525
1,10-dioxaspiro[4.5]decan-2-ol
CID 130129338
1,4-dioxaspiro[4.5]decane;ethane
CID 143191896
(2R,6S,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one
CID 11820501
(5R,7S)-7-methylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,2'-oxane]
CID 154992073
(3S,5R,7R,10S)-3,10-dimethyl-4,11,12,13-tetraoxadispiro[4.1.47.25]tridecane
CID 11637098

Frequently Asked Questions

What is the IUPAC name of (6S,8R,10S)-10-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane?
The IUPAC name of (6S,8R,10S)-10-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane (CID 139254042) is (6S,8R,10S)-10-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane.
What is the SMILES notation for (6S,8R,10S)-10-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane?
The canonical SMILES for (6S,8R,10S)-10-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane is C[C@H]1CCC[C@@]2(CC[C@]3(CCCCO3)O2)O1.
What is the InChIKey of (6S,8R,10S)-10-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane?
The InChIKey is XXFLPVXECUKZCV-RWMBFGLXSA-N. The full InChI is InChI=1S/C13H22O3/c1-11-5-4-7-13(15-11)9-8-12(16-13)6-2-3-10-14-12/h11H,2-10H2,1H3/t11-,12-,13+/m0/s1.
What are the key properties of (6S,8R,10S)-10-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane?
(6S,8R,10S)-10-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane has a molecular weight of 226.32 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8R,10S)-10-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane is sourced from PubChem (CID 139254042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).