(1S,2R,6S,7R)-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane

C10H16O2 — CID 12513637

IUPAC(1S,2R,6S,7R)-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
SMILESCC1(C)O[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2O1
InChIInChI=1S/C10H16O2/c1-10(2)11-8-6-3-4-7(5-6)9(8)12-10/h6-9H,3-5H2,1-2H3/t6-,7+,8+,9-
InChIKeyJGZIHBIYBQJDMR-OJOKCITNSA-N
MW168.24 g/mol
LogP1.94
Rot. Bonds

About (1S,2R,6S,7R)-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane

(1S,2R,6S,7R)-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane (PubChem CID 12513637) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1S,2R,6S,7R)-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name(1S,2R,6S,7R)-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
PubChem CID12513637
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1S,2R,6S,7R)-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
SMILESCC1(C)O[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2O1
InChIInChI=1S/C10H16O2/c1-10(2)11-8-6-3-4-7(5-6)9(8)12-10/h6-9H,3-5H2,1-2H3/t6-,7+,8+,9-
InChIKeyJGZIHBIYBQJDMR-OJOKCITNSA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,2R,6S,7R)-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-3a,3b,4,5,6,6a,7,7a-octahydropentaleno[1,2-d][1,3]dioxol-4-ol
CID 14060648
[(1S,2S,6R,7R,8S)-4,4-dimethyl-3,5-dioxatricyclo[5.2.2.02,6]undecan-8-yl] butanoate
CID 23256437
(1R,2R,6S,7S,9R)-4,4,7,12,12-pentamethyl-3,5,11,13-tetraoxatricyclo[7.4.0.02,6]tridecane
CID 102157576
4,4-dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-ol
CID 14226074
(1S,2R,6S,7R,8R,9R)-8,9-dibromo-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
CID 11131187
(1R,2S,4R,5S,9S,10R)-7,7,12,12-tetramethyl-3,6,8,11,13-pentaoxatetracyclo[8.3.0.02,4.05,9]tridecane
CID 11413812
(3R,7S,9S)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol
CID 163285082
(3aS,4S,6R)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
CID 169433456
(3aR,4R,6S,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
CID 172641360
(3aR,4S,5R,6R,7R,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-4,5,6,7-tetrol
CID 10398539
(3aR,4R,6S)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 59042827
(2R,6R)-tricyclo[4.2.1.12,5]decane
CID 134081586

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6S,7R)-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane?
The IUPAC name of (1S,2R,6S,7R)-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane (CID 12513637) is (1S,2R,6S,7R)-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for (1S,2R,6S,7R)-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane?
The canonical SMILES for (1S,2R,6S,7R)-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane is CC1(C)O[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2O1.
What is the InChIKey of (1S,2R,6S,7R)-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane?
The InChIKey is JGZIHBIYBQJDMR-OJOKCITNSA-N. The full InChI is InChI=1S/C10H16O2/c1-10(2)11-8-6-3-4-7(5-6)9(8)12-10/h6-9H,3-5H2,1-2H3/t6-,7+,8+,9-.
What are the key properties of (1S,2R,6S,7R)-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane?
(1S,2R,6S,7R)-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane has a molecular weight of 168.24 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6S,7R)-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 12513637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).