(1S,2S,6S,7S)-6-methyltricyclo[4.4.0.02,7]decane-1,2-diol

C11H18O2 — CID 11745263

IUPAC(1S,2S,6S,7S)-6-methyltricyclo[4.4.0.02,7]decane-1,2-diol
SMILESC[C@]12CCC[C@]3(O)[C@H]1CCC[C@]23O
InChIInChI=1S/C11H18O2/c1-9-5-3-6-10(12)8(9)4-2-7-11(9,10)13/h8,12-13H,2-7H2,1H3/t8-,9-,10-,11-/m0/s1
InChIKeyMTFVMPGFOYKLNM-NAKRPEOUSA-N
MW182.26 g/mol
LogP1.45
Rot. Bonds

About (1S,2S,6S,7S)-6-methyltricyclo[4.4.0.02,7]decane-1,2-diol

(1S,2S,6S,7S)-6-methyltricyclo[4.4.0.02,7]decane-1,2-diol (PubChem CID 11745263) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (1S,2S,6S,7S)-6-methyltricyclo[4.4.0.02,7]decane-1,2-diol.

Molecular Properties

Compound Name(1S,2S,6S,7S)-6-methyltricyclo[4.4.0.02,7]decane-1,2-diol
PubChem CID11745263
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(1S,2S,6S,7S)-6-methyltricyclo[4.4.0.02,7]decane-1,2-diol
SMILESC[C@]12CCC[C@]3(O)[C@H]1CCC[C@]23O
InChIInChI=1S/C11H18O2/c1-9-5-3-6-10(12)8(9)4-2-7-11(9,10)13/h8,12-13H,2-7H2,1H3/t8-,9-,10-,11-/m0/s1
InChIKeyMTFVMPGFOYKLNM-NAKRPEOUSA-N
XLogP1.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,6S,7S)-6-methyltricyclo[4.4.0.02,7]decane-1,2-diol?
The IUPAC name of (1S,2S,6S,7S)-6-methyltricyclo[4.4.0.02,7]decane-1,2-diol (CID 11745263) is (1S,2S,6S,7S)-6-methyltricyclo[4.4.0.02,7]decane-1,2-diol.
What is the SMILES notation for (1S,2S,6S,7S)-6-methyltricyclo[4.4.0.02,7]decane-1,2-diol?
The canonical SMILES for (1S,2S,6S,7S)-6-methyltricyclo[4.4.0.02,7]decane-1,2-diol is C[C@]12CCC[C@]3(O)[C@H]1CCC[C@]23O.
What is the InChIKey of (1S,2S,6S,7S)-6-methyltricyclo[4.4.0.02,7]decane-1,2-diol?
The InChIKey is MTFVMPGFOYKLNM-NAKRPEOUSA-N. The full InChI is InChI=1S/C11H18O2/c1-9-5-3-6-10(12)8(9)4-2-7-11(9,10)13/h8,12-13H,2-7H2,1H3/t8-,9-,10-,11-/m0/s1.
What are the key properties of (1S,2S,6S,7S)-6-methyltricyclo[4.4.0.02,7]decane-1,2-diol?
(1S,2S,6S,7S)-6-methyltricyclo[4.4.0.02,7]decane-1,2-diol has a molecular weight of 182.26 g/mol, XLogP of 1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6S,7S)-6-methyltricyclo[4.4.0.02,7]decane-1,2-diol is sourced from PubChem (CID 11745263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).