(3S)-2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol

C10H16O2 — CID 130311942

IUPAC(3S)-2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
SMILESCC1C2CC3C1C(O)O[C@H]3C2C
InChIInChI=1S/C10H16O2/c1-4-6-3-7-8(4)10(11)12-9(7)5(6)2/h4-11H,3H2,1-2H3/t4?,5?,6?,7?,8?,9-,10?/m0/s1
InChIKeyLQGMGZSPGSGEIE-ZOHRXQEZSA-N
MW168.24 g/mol
LogP1.24
Rot. Bonds

About (3S)-2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol

(3S)-2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol (PubChem CID 130311942) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3S)-2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol.

Molecular Properties

Compound Name(3S)-2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
PubChem CID130311942
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3S)-2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
SMILESCC1C2CC3C1C(O)O[C@H]3C2C
InChIInChI=1S/C10H16O2/c1-4-6-3-7-8(4)10(11)12-9(7)5(6)2/h4-11H,3H2,1-2H3/t4?,5?,6?,7?,8?,9-,10?/m0/s1
InChIKeyLQGMGZSPGSGEIE-ZOHRXQEZSA-N
XLogP1.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol with MolForge

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Related Compounds

Octahydro-7,8,8-trimethyl-4,7-methanobenzofuran-2-ol
CID 12916558
(1S,2R,4R,6R,7S)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol
CID 12916560
4-Oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 15195820
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
(1R,2S,4S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol
CID 10987192
(1S,3R,5S,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 22840736
(1S,3R,5R,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 22840740
2-Methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propan-1-ol
CID 59602204
3-Methyl-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol
CID 66837734
9-Methyl-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol
CID 67963167

Frequently Asked Questions

What is the IUPAC name of (3S)-2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
The IUPAC name of (3S)-2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol (CID 130311942) is (3S)-2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol.
What is the SMILES notation for (3S)-2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
The canonical SMILES for (3S)-2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol is CC1C2CC3C1C(O)O[C@H]3C2C.
What is the InChIKey of (3S)-2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
The InChIKey is LQGMGZSPGSGEIE-ZOHRXQEZSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-6-3-7-8(4)10(11)12-9(7)5(6)2/h4-11H,3H2,1-2H3/t4?,5?,6?,7?,8?,9-,10?/m0/s1.
What are the key properties of (3S)-2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
(3S)-2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol has a molecular weight of 168.24 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol is sourced from PubChem (CID 130311942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).