(2S,4S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol

C11H20O3 — CID 11769525

IUPAC(2S,4S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol
SMILESC[C@H]1CCC[C@@]2(C[C@@H](O)C[C@H](C)O2)O1
InChIInChI=1S/C11H20O3/c1-8-4-3-5-11(13-8)7-10(12)6-9(2)14-11/h8-10,12H,3-7H2,1-2H3/t8-,9-,10-,11+/m0/s1
InChIKeyUGQSSMAXOUSHAY-XWLWVQCSSA-N
MW200.28 g/mol
LogP1.83
Rot. Bonds

About (2S,4S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol

(2S,4S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol (PubChem CID 11769525) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S,4S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name(2S,4S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol
PubChem CID11769525
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(2S,4S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol
SMILESC[C@H]1CCC[C@@]2(C[C@@H](O)C[C@H](C)O2)O1
InChIInChI=1S/C11H20O3/c1-8-4-3-5-11(13-8)7-10(12)6-9(2)14-11/h8-10,12H,3-7H2,1-2H3/t8-,9-,10-,11+/m0/s1
InChIKeyUGQSSMAXOUSHAY-XWLWVQCSSA-N
XLogP1.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,4S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol 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,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
(6S,8R,10S)-10-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane
CID 139254042
(2S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one
CID 10997977
2-[(2R,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]ethanol
CID 11275673
(2R,5R,7R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane
CID 13364433
(4S,5R,7S)-4,7-dimethyl-6-oxaspiro[4.5]decane
CID 102399716
(2R,6S,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one
CID 11820501
(4R,6S,8S,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-one
CID 102119415
(1S,2R,5'S,6R,8R)-4,4,5'-trimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,2'-oxolane]
CID 42599431
1,6-dioxaspiro[4.5]decan-9-ol
CID 10975764

Frequently Asked Questions

What is the IUPAC name of (2S,4S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol?
The IUPAC name of (2S,4S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol (CID 11769525) is (2S,4S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol.
What is the SMILES notation for (2S,4S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol?
The canonical SMILES for (2S,4S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol is C[C@H]1CCC[C@@]2(C[C@@H](O)C[C@H](C)O2)O1.
What is the InChIKey of (2S,4S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol?
The InChIKey is UGQSSMAXOUSHAY-XWLWVQCSSA-N. The full InChI is InChI=1S/C11H20O3/c1-8-4-3-5-11(13-8)7-10(12)6-9(2)14-11/h8-10,12H,3-7H2,1-2H3/t8-,9-,10-,11+/m0/s1.
What are the key properties of (2S,4S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol?
(2S,4S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol has a molecular weight of 200.28 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 11769525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).