(1S,2R,4R,6R,7S)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol

C12H20O2 — CID 12916560

IUPAC(1S,2R,4R,6R,7S)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol
SMILESCC1(C)[C@H]2CC[C@]1(C)[C@@H]1O[C@@H](O)C[C@@H]12
InChIInChI=1S/C12H20O2/c1-11(2)8-4-5-12(11,3)10-7(8)6-9(13)14-10/h7-10,13H,4-6H2,1-3H3/t7-,8+,9-,10-,12-/m1/s1
InChIKeyKATOZYGYLINPLJ-VEOFNUSFSA-N
MW196.29 g/mol
LogP2.17
Rot. Bonds

About (1S,2R,4R,6R,7S)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol

(1S,2R,4R,6R,7S)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol (PubChem CID 12916560) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (1S,2R,4R,6R,7S)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol.

Molecular Properties

Compound Name(1S,2R,4R,6R,7S)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol
PubChem CID12916560
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(1S,2R,4R,6R,7S)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol
SMILESCC1(C)[C@H]2CC[C@]1(C)[C@@H]1O[C@@H](O)C[C@@H]12
InChIInChI=1S/C12H20O2/c1-11(2)8-4-5-12(11,3)10-7(8)6-9(13)14-10/h7-10,13H,4-6H2,1-3H3/t7-,8+,9-,10-,12-/m1/s1
InChIKeyKATOZYGYLINPLJ-VEOFNUSFSA-N
XLogP2.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2R,4R,6R,7S)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol with MolForge

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Launch Full Analysis

Related Compounds

Octahydro-7,8,8-trimethyl-4,7-methanobenzofuran-2-ol
CID 12916558
(1S,2R,4R,6R,7S)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
CID 54035325
(1,3,3-Trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethanol
CID 59602233
2,9-Dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 90799758
(2R,9S)-2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 126664278
1,2-Dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 130178360
(3S)-2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 130311942
Octahydro-8,9,9-trimethyl-5,8-methano-2 h-1-benzopyran-2-ol
CID 20429693
(1R,2S,4R)-1,7,7-trimethyl-2-(1,2,4-trioxolan-3-ylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 100940459
(2R)-2-[(1R,2S,6R,7S)-1,10,10-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-yl]propan-1-ol
CID 134878024
(1R,2S,4S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol
CID 10987192
(1R,2S,4S,6S,7R)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
CID 12916573

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R,6R,7S)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol?
The IUPAC name of (1S,2R,4R,6R,7S)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol (CID 12916560) is (1S,2R,4R,6R,7S)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol.
What is the SMILES notation for (1S,2R,4R,6R,7S)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol?
The canonical SMILES for (1S,2R,4R,6R,7S)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol is CC1(C)[C@H]2CC[C@]1(C)[C@@H]1O[C@@H](O)C[C@@H]12.
What is the InChIKey of (1S,2R,4R,6R,7S)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol?
The InChIKey is KATOZYGYLINPLJ-VEOFNUSFSA-N. The full InChI is InChI=1S/C12H20O2/c1-11(2)8-4-5-12(11,3)10-7(8)6-9(13)14-10/h7-10,13H,4-6H2,1-3H3/t7-,8+,9-,10-,12-/m1/s1.
What are the key properties of (1S,2R,4R,6R,7S)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol?
(1S,2R,4R,6R,7S)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol has a molecular weight of 196.29 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R,6R,7S)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol is sourced from PubChem (CID 12916560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).