4,4-dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-ol

C10H16O4 — CID 14226074

IUPAC4,4-dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-ol
SMILESCC1(C)OC2C3COC(O)C(C3)C2O1
InChIInChI=1S/C10H16O4/c1-10(2)13-7-5-3-6(8(7)14-10)9(11)12-4-5/h5-9,11H,3-4H2,1-2H3
InChIKeyHATCITFOKHTYAM-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.49
Rot. Bonds

About 4,4-dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-ol

4,4-dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-ol (PubChem CID 14226074) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 4,4-dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-ol.

Molecular Properties

Compound Name4,4-dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-ol
PubChem CID14226074
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name4,4-dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-ol
SMILESCC1(C)OC2C3COC(O)C(C3)C2O1
InChIInChI=1S/C10H16O4/c1-10(2)13-7-5-3-6(8(7)14-10)9(11)12-4-5/h5-9,11H,3-4H2,1-2H3
InChIKeyHATCITFOKHTYAM-UHFFFAOYSA-N
XLogP0.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4-dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-ol with MolForge

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Related Compounds

(3aS,4aS,7R,7aR,8aR)-2,2-dimethyl-3a,4,4a,5,7,7a,8,8a-octahydro-[1,3]dioxolo[4,5-f][2]benzofuran-7-ol
CID 101444272
(1R,5S)-3-oxabicyclo[3.1.0]hexan-2-ol
CID 130756816
(3aS,4R,6aS)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 7577064
(1S,2R,6S,7R)-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
CID 12513637
(3aS,7R)-7-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol
CID 59047968
(1R,2R,6S,7S,9R)-4,4,7,12,12-pentamethyl-3,5,11,13-tetraoxatricyclo[7.4.0.02,6]tridecane
CID 102157576
(1S,2R,6S,7R,8R,9R)-8,9-dibromo-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
CID 11131187
(3R,7S,9S)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol
CID 163285082
ethyl 4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane-8-carboxylate
CID 20525052
(3aS,5S,6S,6aR)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 124744801
2,2-dimethyl-5-[(2R)-oxiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 135037394
(3aR,5R,6S,6aS)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 11888642

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-ol?
The IUPAC name of 4,4-dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-ol (CID 14226074) is 4,4-dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-ol.
What is the SMILES notation for 4,4-dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-ol?
The canonical SMILES for 4,4-dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-ol is CC1(C)OC2C3COC(O)C(C3)C2O1.
What is the InChIKey of 4,4-dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-ol?
The InChIKey is HATCITFOKHTYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-10(2)13-7-5-3-6(8(7)14-10)9(11)12-4-5/h5-9,11H,3-4H2,1-2H3.
What are the key properties of 4,4-dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-ol?
4,4-dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-ol has a molecular weight of 200.23 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-ol is sourced from PubChem (CID 14226074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).