[(1S,2R,7S,8R)-8,9-dihydroxy-2-tricyclo[6.5.0.02,7]tridecanyl] acetate

C15H24O4 — CID 177404230

IUPAC[(1S,2R,7S,8R)-8,9-dihydroxy-2-tricyclo[6.5.0.02,7]tridecanyl] acetate
SMILESCC(=O)O[C@]12CCCC[C@H]1[C@@]1(O)C(O)CCCC[C@H]21
InChIInChI=1S/C15H24O4/c1-10(16)19-14-9-5-4-7-12(14)15(18)11(14)6-2-3-8-13(15)17/h11-13,17-18H,2-9H2,1H3/t11-,12-,13?,14+,15-/m1/s1
InChIKeyCUOHVBLGAPDKIE-WHMVFVPBSA-N
MW268.35 g/mol
LogP1.77
Rot. Bonds1

About [(1S,2R,7S,8R)-8,9-dihydroxy-2-tricyclo[6.5.0.02,7]tridecanyl] acetate

[(1S,2R,7S,8R)-8,9-dihydroxy-2-tricyclo[6.5.0.02,7]tridecanyl] acetate (PubChem CID 177404230) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is [(1S,2R,7S,8R)-8,9-dihydroxy-2-tricyclo[6.5.0.02,7]tridecanyl] acetate.

Molecular Properties

Compound Name[(1S,2R,7S,8R)-8,9-dihydroxy-2-tricyclo[6.5.0.02,7]tridecanyl] acetate
PubChem CID177404230
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name[(1S,2R,7S,8R)-8,9-dihydroxy-2-tricyclo[6.5.0.02,7]tridecanyl] acetate
SMILESCC(=O)O[C@]12CCCC[C@H]1[C@@]1(O)C(O)CCCC[C@H]21
InChIInChI=1S/C15H24O4/c1-10(16)19-14-9-5-4-7-12(14)15(18)11(14)6-2-3-8-13(15)17/h11-13,17-18H,2-9H2,1H3/t11-,12-,13?,14+,15-/m1/s1
InChIKeyCUOHVBLGAPDKIE-WHMVFVPBSA-N
XLogP1.77
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,7S,8R)-8,9-dihydroxy-2-tricyclo[6.5.0.02,7]tridecanyl] acetate?
The IUPAC name of [(1S,2R,7S,8R)-8,9-dihydroxy-2-tricyclo[6.5.0.02,7]tridecanyl] acetate (CID 177404230) is [(1S,2R,7S,8R)-8,9-dihydroxy-2-tricyclo[6.5.0.02,7]tridecanyl] acetate.
What is the SMILES notation for [(1S,2R,7S,8R)-8,9-dihydroxy-2-tricyclo[6.5.0.02,7]tridecanyl] acetate?
The canonical SMILES for [(1S,2R,7S,8R)-8,9-dihydroxy-2-tricyclo[6.5.0.02,7]tridecanyl] acetate is CC(=O)O[C@]12CCCC[C@H]1[C@@]1(O)C(O)CCCC[C@H]21.
What is the InChIKey of [(1S,2R,7S,8R)-8,9-dihydroxy-2-tricyclo[6.5.0.02,7]tridecanyl] acetate?
The InChIKey is CUOHVBLGAPDKIE-WHMVFVPBSA-N. The full InChI is InChI=1S/C15H24O4/c1-10(16)19-14-9-5-4-7-12(14)15(18)11(14)6-2-3-8-13(15)17/h11-13,17-18H,2-9H2,1H3/t11-,12-,13?,14+,15-/m1/s1.
What are the key properties of [(1S,2R,7S,8R)-8,9-dihydroxy-2-tricyclo[6.5.0.02,7]tridecanyl] acetate?
[(1S,2R,7S,8R)-8,9-dihydroxy-2-tricyclo[6.5.0.02,7]tridecanyl] acetate has a molecular weight of 268.35 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,7S,8R)-8,9-dihydroxy-2-tricyclo[6.5.0.02,7]tridecanyl] acetate is sourced from PubChem (CID 177404230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).