(2S,3R,5S,9R)-2,3,9-trimethyl-1,10-dioxaspiro[4.5]decane

C11H20O2 — CID 10845202

IUPAC(2S,3R,5S,9R)-2,3,9-trimethyl-1,10-dioxaspiro[4.5]decane
SMILESC[C@@H]1CCC[C@]2(C[C@@H](C)[C@H](C)O2)O1
InChIInChI=1S/C11H20O2/c1-8-7-11(13-10(8)3)6-4-5-9(2)12-11/h8-10H,4-7H2,1-3H3/t8-,9-,10+,11+/m1/s1
InChIKeyPBZWOIIDGPYCJH-ZNSHCXBVSA-N
MW184.28 g/mol
LogP2.72
Rot. Bonds

About (2S,3R,5S,9R)-2,3,9-trimethyl-1,10-dioxaspiro[4.5]decane

(2S,3R,5S,9R)-2,3,9-trimethyl-1,10-dioxaspiro[4.5]decane (PubChem CID 10845202) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (2S,3R,5S,9R)-2,3,9-trimethyl-1,10-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(2S,3R,5S,9R)-2,3,9-trimethyl-1,10-dioxaspiro[4.5]decane
PubChem CID10845202
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(2S,3R,5S,9R)-2,3,9-trimethyl-1,10-dioxaspiro[4.5]decane
SMILESC[C@@H]1CCC[C@]2(C[C@@H](C)[C@H](C)O2)O1
InChIInChI=1S/C11H20O2/c1-8-7-11(13-10(8)3)6-4-5-9(2)12-11/h8-10H,4-7H2,1-3H3/t8-,9-,10+,11+/m1/s1
InChIKeyPBZWOIIDGPYCJH-ZNSHCXBVSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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,4S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol
CID 11769525
(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
2,3,7,8-tetramethyl-1,4-dioxaspiro[4.4]nonane
CID 20769602
(2S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one
CID 10997977
2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane
CID 20769609
(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

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S,9R)-2,3,9-trimethyl-1,10-dioxaspiro[4.5]decane?
The IUPAC name of (2S,3R,5S,9R)-2,3,9-trimethyl-1,10-dioxaspiro[4.5]decane (CID 10845202) is (2S,3R,5S,9R)-2,3,9-trimethyl-1,10-dioxaspiro[4.5]decane.
What is the SMILES notation for (2S,3R,5S,9R)-2,3,9-trimethyl-1,10-dioxaspiro[4.5]decane?
The canonical SMILES for (2S,3R,5S,9R)-2,3,9-trimethyl-1,10-dioxaspiro[4.5]decane is C[C@@H]1CCC[C@]2(C[C@@H](C)[C@H](C)O2)O1.
What is the InChIKey of (2S,3R,5S,9R)-2,3,9-trimethyl-1,10-dioxaspiro[4.5]decane?
The InChIKey is PBZWOIIDGPYCJH-ZNSHCXBVSA-N. The full InChI is InChI=1S/C11H20O2/c1-8-7-11(13-10(8)3)6-4-5-9(2)12-11/h8-10H,4-7H2,1-3H3/t8-,9-,10+,11+/m1/s1.
What are the key properties of (2S,3R,5S,9R)-2,3,9-trimethyl-1,10-dioxaspiro[4.5]decane?
(2S,3R,5S,9R)-2,3,9-trimethyl-1,10-dioxaspiro[4.5]decane has a molecular weight of 184.28 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S,9R)-2,3,9-trimethyl-1,10-dioxaspiro[4.5]decane is sourced from PubChem (CID 10845202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).