[(2S,3S)-3-[2-[(2S,3S)-3-(hydroxymethyl)-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol

C10H18O4 — CID 11095679

IUPAC[(2S,3S)-3-[2-[(2S,3S)-3-(hydroxymethyl)-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol
SMILESC[C@@]1(CO)O[C@H]1CC[C@@H]1O[C@@]1(C)CO
InChIInChI=1S/C10H18O4/c1-9(5-11)7(13-9)3-4-8-10(2,6-12)14-8/h7-8,11-12H,3-6H2,1-2H3/t7-,8-,9-,10-/m0/s1
InChIKeyCSPZUSLAYBIHDS-XKNYDFJKSA-N
MW202.25 g/mol
LogP0.07
Rot. Bonds5

About [(2S,3S)-3-[2-[(2S,3S)-3-(hydroxymethyl)-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol

[(2S,3S)-3-[2-[(2S,3S)-3-(hydroxymethyl)-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol (PubChem CID 11095679) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is [(2S,3S)-3-[2-[(2S,3S)-3-(hydroxymethyl)-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-[2-[(2S,3S)-3-(hydroxymethyl)-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol
PubChem CID11095679
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name[(2S,3S)-3-[2-[(2S,3S)-3-(hydroxymethyl)-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol
SMILESC[C@@]1(CO)O[C@H]1CC[C@@H]1O[C@@]1(C)CO
InChIInChI=1S/C10H18O4/c1-9(5-11)7(13-9)3-4-8-10(2,6-12)14-8/h7-8,11-12H,3-6H2,1-2H3/t7-,8-,9-,10-/m0/s1
InChIKeyCSPZUSLAYBIHDS-XKNYDFJKSA-N
XLogP0.07
TPSA65.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,4S,6S,7R,8S,11S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol
CID 15699881
(1R,4S,6R,7R,8S,11S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol
CID 124708193
(1S,2R,4S,6R,7R,8S,11R)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol
CID 162947835
(1S,4S,6R,7R,8S,11R)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol
CID 162956578
(1R,2R,4S,6R,7R,8S,11S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol
CID 163185225
Npc150445
CID 537453
(1R,4R,6R,7R,8S,9R,11S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-7,9-diol
CID 162932334
(1R,4S,6R,7R,8S)-4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol
CID 162956571
(1R,4S,6R,7R,8S,11S)-4-methyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol
CID 163185311
Oxiranemethanol, 3-[2-(3,3-dimethyloxiranyl)ethyl]-3-methyl-
CID 10965234
Toblerol A
CID 138966608
Triglycidyl glycerol
CID 54023025

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-[2-[(2S,3S)-3-(hydroxymethyl)-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-[2-[(2S,3S)-3-(hydroxymethyl)-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol (CID 11095679) is [(2S,3S)-3-[2-[(2S,3S)-3-(hydroxymethyl)-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-[2-[(2S,3S)-3-(hydroxymethyl)-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-[2-[(2S,3S)-3-(hydroxymethyl)-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol is C[C@@]1(CO)O[C@H]1CC[C@@H]1O[C@@]1(C)CO.
What is the InChIKey of [(2S,3S)-3-[2-[(2S,3S)-3-(hydroxymethyl)-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol?
The InChIKey is CSPZUSLAYBIHDS-XKNYDFJKSA-N. The full InChI is InChI=1S/C10H18O4/c1-9(5-11)7(13-9)3-4-8-10(2,6-12)14-8/h7-8,11-12H,3-6H2,1-2H3/t7-,8-,9-,10-/m0/s1.
What are the key properties of [(2S,3S)-3-[2-[(2S,3S)-3-(hydroxymethyl)-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol?
[(2S,3S)-3-[2-[(2S,3S)-3-(hydroxymethyl)-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol has a molecular weight of 202.25 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-[2-[(2S,3S)-3-(hydroxymethyl)-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol is sourced from PubChem (CID 11095679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).