(5S)-2-methyl-3,7-dioxatricyclo[3.3.3.01,5]undecane-2,6-diol

C10H16O4 — CID 118018037

IUPAC(5S)-2-methyl-3,7-dioxatricyclo[3.3.3.01,5]undecane-2,6-diol
SMILESCC1(O)OC[C@]23CCCC12COC3O
InChIInChI=1S/C10H16O4/c1-8(12)10-4-2-3-9(10,5-14-8)7(11)13-6-10/h7,11-12H,2-6H2,1H3/t7?,8?,9-,10?/m0/s1
InChIKeyDDYCRENJGFOUIK-HTEYAMCKSA-N
MW200.23 g/mol
LogP0.23
Rot. Bonds

About (5S)-2-methyl-3,7-dioxatricyclo[3.3.3.01,5]undecane-2,6-diol

(5S)-2-methyl-3,7-dioxatricyclo[3.3.3.01,5]undecane-2,6-diol (PubChem CID 118018037) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (5S)-2-methyl-3,7-dioxatricyclo[3.3.3.01,5]undecane-2,6-diol.

Molecular Properties

Compound Name(5S)-2-methyl-3,7-dioxatricyclo[3.3.3.01,5]undecane-2,6-diol
PubChem CID118018037
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(5S)-2-methyl-3,7-dioxatricyclo[3.3.3.01,5]undecane-2,6-diol
SMILESCC1(O)OC[C@]23CCCC12COC3O
InChIInChI=1S/C10H16O4/c1-8(12)10-4-2-3-9(10,5-14-8)7(11)13-6-10/h7,11-12H,2-6H2,1H3/t7?,8?,9-,10?/m0/s1
InChIKeyDDYCRENJGFOUIK-HTEYAMCKSA-N
XLogP0.23
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,5S)-3,7-dioxatricyclo[3.3.3.01,5]undecane-2,6-diol
CID 58488563
(5S)-3,7-dioxatricyclo[3.3.3.01,5]undecane-2,6-diol
CID 68221801
(5S)-2-tert-butyl-3,7-dioxatricyclo[3.3.3.01,5]undecane-2,6-diol
CID 118014741
(1S,5S)-2-tert-butyl-3,7-dioxatricyclo[3.3.3.01,5]undecane-2,6-diol
CID 134419391
(1S,5R)-3,7-dioxatricyclo[3.3.3.01,5]undecane-2,6-diol
CID 158837206
(1R,5S)-2-tert-butyl-3,7-dioxatricyclo[3.3.3.01,5]undecane-2,6-diol
CID 158837207

Frequently Asked Questions

What is the IUPAC name of (5S)-2-methyl-3,7-dioxatricyclo[3.3.3.01,5]undecane-2,6-diol?
The IUPAC name of (5S)-2-methyl-3,7-dioxatricyclo[3.3.3.01,5]undecane-2,6-diol (CID 118018037) is (5S)-2-methyl-3,7-dioxatricyclo[3.3.3.01,5]undecane-2,6-diol.
What is the SMILES notation for (5S)-2-methyl-3,7-dioxatricyclo[3.3.3.01,5]undecane-2,6-diol?
The canonical SMILES for (5S)-2-methyl-3,7-dioxatricyclo[3.3.3.01,5]undecane-2,6-diol is CC1(O)OC[C@]23CCCC12COC3O.
What is the InChIKey of (5S)-2-methyl-3,7-dioxatricyclo[3.3.3.01,5]undecane-2,6-diol?
The InChIKey is DDYCRENJGFOUIK-HTEYAMCKSA-N. The full InChI is InChI=1S/C10H16O4/c1-8(12)10-4-2-3-9(10,5-14-8)7(11)13-6-10/h7,11-12H,2-6H2,1H3/t7?,8?,9-,10?/m0/s1.
What are the key properties of (5S)-2-methyl-3,7-dioxatricyclo[3.3.3.01,5]undecane-2,6-diol?
(5S)-2-methyl-3,7-dioxatricyclo[3.3.3.01,5]undecane-2,6-diol has a molecular weight of 200.23 g/mol, XLogP of 0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-methyl-3,7-dioxatricyclo[3.3.3.01,5]undecane-2,6-diol is sourced from PubChem (CID 118018037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).