(1R,2S,3R,7S,8S,9R,10R)-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.01,9.03,7]tridecane-2,8,10-triol

C15H24O4 — CID 10754379

IUPAC(1R,2S,3R,7S,8S,9R,10R)-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.01,9.03,7]tridecane-2,8,10-triol
SMILESCC1(C)C[C@H]2[C@H](O)[C@@]34CO[C@@H](O)[C@@]3(C4)[C@@](C)(O)[C@H]2C1
InChIInChI=1S/C15H24O4/c1-12(2)4-8-9(5-12)13(3,18)15-6-14(15,10(8)16)7-19-11(15)17/h8-11,16-18H,4-7H2,1-3H3/t8-,9+,10+,11-,13+,14-,15+/m1/s1
InChIKeyDYBCWJJEJNOFEY-IEVRHGNSSA-N
MW268.35 g/mol
LogP0.89
Rot. Bonds

About (1R,2S,3R,7S,8S,9R,10R)-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.01,9.03,7]tridecane-2,8,10-triol

(1R,2S,3R,7S,8S,9R,10R)-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.01,9.03,7]tridecane-2,8,10-triol (PubChem CID 10754379) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is (1R,2S,3R,7S,8S,9R,10R)-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.01,9.03,7]tridecane-2,8,10-triol.

Molecular Properties

Compound Name(1R,2S,3R,7S,8S,9R,10R)-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.01,9.03,7]tridecane-2,8,10-triol
PubChem CID10754379
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name(1R,2S,3R,7S,8S,9R,10R)-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.01,9.03,7]tridecane-2,8,10-triol
SMILESCC1(C)C[C@H]2[C@H](O)[C@@]34CO[C@@H](O)[C@@]3(C4)[C@@](C)(O)[C@H]2C1
InChIInChI=1S/C15H24O4/c1-12(2)4-8-9(5-12)13(3,18)15-6-14(15,10(8)16)7-19-11(15)17/h8-11,16-18H,4-7H2,1-3H3/t8-,9+,10+,11-,13+,14-,15+/m1/s1
InChIKeyDYBCWJJEJNOFEY-IEVRHGNSSA-N
XLogP0.89
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1R,2S,3R,7S,8S,9R,10R)-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.01,9.03,7]tridecane-2,8,10-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,7S,8S,9R,10R)-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.01,9.03,7]tridecane-2,8,10-triol?
The IUPAC name of (1R,2S,3R,7S,8S,9R,10R)-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.01,9.03,7]tridecane-2,8,10-triol (CID 10754379) is (1R,2S,3R,7S,8S,9R,10R)-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.01,9.03,7]tridecane-2,8,10-triol.
What is the SMILES notation for (1R,2S,3R,7S,8S,9R,10R)-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.01,9.03,7]tridecane-2,8,10-triol?
The canonical SMILES for (1R,2S,3R,7S,8S,9R,10R)-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.01,9.03,7]tridecane-2,8,10-triol is CC1(C)C[C@H]2[C@H](O)[C@@]34CO[C@@H](O)[C@@]3(C4)[C@@](C)(O)[C@H]2C1.
What is the InChIKey of (1R,2S,3R,7S,8S,9R,10R)-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.01,9.03,7]tridecane-2,8,10-triol?
The InChIKey is DYBCWJJEJNOFEY-IEVRHGNSSA-N. The full InChI is InChI=1S/C15H24O4/c1-12(2)4-8-9(5-12)13(3,18)15-6-14(15,10(8)16)7-19-11(15)17/h8-11,16-18H,4-7H2,1-3H3/t8-,9+,10+,11-,13+,14-,15+/m1/s1.
What are the key properties of (1R,2S,3R,7S,8S,9R,10R)-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.01,9.03,7]tridecane-2,8,10-triol?
(1R,2S,3R,7S,8S,9R,10R)-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.01,9.03,7]tridecane-2,8,10-triol has a molecular weight of 268.35 g/mol, XLogP of 0.89, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,7S,8S,9R,10R)-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.01,9.03,7]tridecane-2,8,10-triol is sourced from PubChem (CID 10754379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).