1-[(3S,5R)-8,8-dimethyl-4,7,9-trioxatricyclo[4.3.0.01,3]nonan-5-yl]ethanol

C10H16O4 — CID 129014651

IUPAC1-[(3S,5R)-8,8-dimethyl-4,7,9-trioxatricyclo[4.3.0.01,3]nonan-5-yl]ethanol
SMILESCC(O)[C@H]1O[C@H]2CC23OC(C)(C)OC13
InChIInChI=1S/C10H16O4/c1-5(11)7-8-10(4-6(10)12-7)14-9(2,3)13-8/h5-8,11H,4H2,1-3H3/t5?,6-,7+,8?,10?/m0/s1
InChIKeyNNSBGDQKRXJAMK-NLQCSMFFSA-N
MW200.23 g/mol
LogP0.43
Rot. Bonds1

About 1-[(3S,5R)-8,8-dimethyl-4,7,9-trioxatricyclo[4.3.0.01,3]nonan-5-yl]ethanol

1-[(3S,5R)-8,8-dimethyl-4,7,9-trioxatricyclo[4.3.0.01,3]nonan-5-yl]ethanol (PubChem CID 129014651) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-[(3S,5R)-8,8-dimethyl-4,7,9-trioxatricyclo[4.3.0.01,3]nonan-5-yl]ethanol.

Molecular Properties

Compound Name1-[(3S,5R)-8,8-dimethyl-4,7,9-trioxatricyclo[4.3.0.01,3]nonan-5-yl]ethanol
PubChem CID129014651
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-[(3S,5R)-8,8-dimethyl-4,7,9-trioxatricyclo[4.3.0.01,3]nonan-5-yl]ethanol
SMILESCC(O)[C@H]1O[C@H]2CC23OC(C)(C)OC13
InChIInChI=1S/C10H16O4/c1-5(11)7-8-10(4-6(10)12-7)14-9(2,3)13-8/h5-8,11H,4H2,1-3H3/t5?,6-,7+,8?,10?/m0/s1
InChIKeyNNSBGDQKRXJAMK-NLQCSMFFSA-N
XLogP0.43
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3S,5R)-8,8-dimethyl-4,7,9-trioxatricyclo[4.3.0.01,3]nonan-5-yl]ethanol with MolForge

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Related Compounds

(1S)-1-[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol
CID 71229428
1-[6-(1-hydroxyethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione
CID 123334680
(3aR,4S,6S,6aR)-6-[(1S)-1-hydroxyethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 102062375
(1R)-1-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethanol
CID 12039524
(7S)-1,4,4,7,9-pentamethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane
CID 144570221
(1R)-1-[(3aS,6R,6aS)-4-hydroxy-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol
CID 10922935
(4R,5R)-5-[(1S)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 119087566
1-(3,3-dimethyloxiran-2-yl)ethanol
CID 10920486
(3aS,6aS)-6-[(1R)-1,2-dihydroxyethyl]-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
CID 102205061
6-(1-hydroxyethyl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ol
CID 20744986
(1R)-1-methyl-2-oxabicyclo[1.1.0]butane
CID 173021460
2,2,3a-trimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-ol
CID 13122571

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,5R)-8,8-dimethyl-4,7,9-trioxatricyclo[4.3.0.01,3]nonan-5-yl]ethanol?
The IUPAC name of 1-[(3S,5R)-8,8-dimethyl-4,7,9-trioxatricyclo[4.3.0.01,3]nonan-5-yl]ethanol (CID 129014651) is 1-[(3S,5R)-8,8-dimethyl-4,7,9-trioxatricyclo[4.3.0.01,3]nonan-5-yl]ethanol.
What is the SMILES notation for 1-[(3S,5R)-8,8-dimethyl-4,7,9-trioxatricyclo[4.3.0.01,3]nonan-5-yl]ethanol?
The canonical SMILES for 1-[(3S,5R)-8,8-dimethyl-4,7,9-trioxatricyclo[4.3.0.01,3]nonan-5-yl]ethanol is CC(O)[C@H]1O[C@H]2CC23OC(C)(C)OC13.
What is the InChIKey of 1-[(3S,5R)-8,8-dimethyl-4,7,9-trioxatricyclo[4.3.0.01,3]nonan-5-yl]ethanol?
The InChIKey is NNSBGDQKRXJAMK-NLQCSMFFSA-N. The full InChI is InChI=1S/C10H16O4/c1-5(11)7-8-10(4-6(10)12-7)14-9(2,3)13-8/h5-8,11H,4H2,1-3H3/t5?,6-,7+,8?,10?/m0/s1.
What are the key properties of 1-[(3S,5R)-8,8-dimethyl-4,7,9-trioxatricyclo[4.3.0.01,3]nonan-5-yl]ethanol?
1-[(3S,5R)-8,8-dimethyl-4,7,9-trioxatricyclo[4.3.0.01,3]nonan-5-yl]ethanol has a molecular weight of 200.23 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,5R)-8,8-dimethyl-4,7,9-trioxatricyclo[4.3.0.01,3]nonan-5-yl]ethanol is sourced from PubChem (CID 129014651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).