(3R,7S,9S)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol

C12H20O6 — CID 163285082

IUPAC(3R,7S,9S)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol
SMILESCC1(C)OC2C(O)[C@H]3OC(C)(C)O[C@H]3C(O)[C@@H]2O1
InChIInChI=1S/C12H20O6/c1-11(2)15-7-5(13)9-10(6(14)8(7)16-11)18-12(3,4)17-9/h5-10,13-14H,1-4H3/t5?,6?,7-,8+,9-,10?/m0/s1
InChIKeyLDPFQVWIUACVFE-OUKDACJWSA-N
MW260.29 g/mol
LogP-0.24
Rot. Bonds

About (3R,7S,9S)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol

(3R,7S,9S)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol (PubChem CID 163285082) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is (3R,7S,9S)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol.

Molecular Properties

Compound Name(3R,7S,9S)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol
PubChem CID163285082
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Name(3R,7S,9S)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol
SMILESCC1(C)OC2C(O)[C@H]3OC(C)(C)O[C@H]3C(O)[C@@H]2O1
InChIInChI=1S/C12H20O6/c1-11(2)15-7-5(13)9-10(6(14)8(7)16-11)18-12(3,4)17-9/h5-10,13-14H,1-4H3/t5?,6?,7-,8+,9-,10?/m0/s1
InChIKeyLDPFQVWIUACVFE-OUKDACJWSA-N
XLogP-0.24
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,7S,9S)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol with MolForge

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Related Compounds

(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
2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,7-diol
CID 14487703
(3aS,4R,5R,7R,8R,8aS)-5,7-diethyl-2,2-dimethyl-3a,4,5,7,8,8a-hexahydrothiepino[4,5-d][1,3]dioxole-4,8-diol
CID 54528686
6-amino-5-fluoro-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
CID 123986902
(3aS,4S,7S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4,7-diol
CID 14185483
(1R,3S,7S,9S)-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
CID 70967855
(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diol
CID 101384233
(1R,3S,5R,6R,8S,10R,12S,13S)-5,6,12,13-tetramethoxy-5,6,12,13-tetramethyl-4,7,11,14-tetraoxatricyclo[8.4.0.03,8]tetradecane-2,9-diol
CID 11732292
(1R,2S,3R,7S,8R,9R,10S)-5,5-dimethyl-4,6,11,12-tetraoxatetracyclo[8.2.2.02,9.03,7]tetradec-13-en-8-ol
CID 101380507
(3aR,4R,4aS,10aS,11S,11aS)-4,5a,9a-trimethoxy-2,2-dimethyl-3a,4,4a,6,7,8,9,10a,11,11a-decahydro-[1,3]dioxolo[4,5-b]oxanthren-11-ol
CID 12016259
(1S,2S,6R,7S,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol
CID 98453372
(3aS,4R,6S)-6-methoxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 163285390

Frequently Asked Questions

What is the IUPAC name of (3R,7S,9S)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol?
The IUPAC name of (3R,7S,9S)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol (CID 163285082) is (3R,7S,9S)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol.
What is the SMILES notation for (3R,7S,9S)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol?
The canonical SMILES for (3R,7S,9S)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol is CC1(C)OC2C(O)[C@H]3OC(C)(C)O[C@H]3C(O)[C@@H]2O1.
What is the InChIKey of (3R,7S,9S)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol?
The InChIKey is LDPFQVWIUACVFE-OUKDACJWSA-N. The full InChI is InChI=1S/C12H20O6/c1-11(2)15-7-5(13)9-10(6(14)8(7)16-11)18-12(3,4)17-9/h5-10,13-14H,1-4H3/t5?,6?,7-,8+,9-,10?/m0/s1.
What are the key properties of (3R,7S,9S)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol?
(3R,7S,9S)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol has a molecular weight of 260.29 g/mol, XLogP of -0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7S,9S)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol is sourced from PubChem (CID 163285082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).