(1R,3S,4S,6S,8S)-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-ol

C9H14O3 — CID 130991446

IUPAC(1R,3S,4S,6S,8S)-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-ol
SMILESC[C@]12C[C@H](O)[C@@H]3O[C@H](C1)[C@]3(C)O2
InChIInChI=1S/C9H14O3/c1-8-3-5(10)7-9(2,12-8)6(4-8)11-7/h5-7,10H,3-4H2,1-2H3/t5-,6+,7-,8-,9-/m0/s1
InChIKeyIMAPUOYTQJCNNG-BGKGJTHRSA-N
MW170.21 g/mol
LogP0.46
Rot. Bonds

About (1R,3S,4S,6S,8S)-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-ol

(1R,3S,4S,6S,8S)-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-ol (PubChem CID 130991446) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (1R,3S,4S,6S,8S)-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-ol.

Molecular Properties

Compound Name(1R,3S,4S,6S,8S)-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-ol
PubChem CID130991446
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(1R,3S,4S,6S,8S)-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-ol
SMILESC[C@]12C[C@H](O)[C@@H]3O[C@H](C1)[C@]3(C)O2
InChIInChI=1S/C9H14O3/c1-8-3-5(10)7-9(2,12-8)6(4-8)11-7/h5-7,10H,3-4H2,1-2H3/t5-,6+,7-,8-,9-/m0/s1
InChIKeyIMAPUOYTQJCNNG-BGKGJTHRSA-N
XLogP0.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,3S,4S,6S,8S)-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-ol with MolForge

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Related Compounds

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3-bromo-4-chloro-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodecan-9-ol
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(1R,3S,4S,6S,8R,9R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-ol
CID 177442847
(1R)-1-methyl-2-oxabicyclo[1.1.0]butane
CID 173021460
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[(3S,5S)-5-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]methanol
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CID 12791421
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CID 13122571
(9R)-3,5,9-trimethyl-2-methylidene-12,13-dioxatricyclo[7.3.1.01,6]trideca-3,5-diene-4,7-diol
CID 11821489
(3aS,4R,5S,7aR)-6-iodo-2,2,3a-trimethyl-5,7a-dihydro-4H-1,3-benzodioxole-4,5-diol
CID 72698113
1-methyl-4-propan-2-yl-8-oxabicyclo[3.2.1]oct-6-en-3-ol
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Frequently Asked Questions

What is the IUPAC name of (1R,3S,4S,6S,8S)-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-ol?
The IUPAC name of (1R,3S,4S,6S,8S)-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-ol (CID 130991446) is (1R,3S,4S,6S,8S)-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-ol.
What is the SMILES notation for (1R,3S,4S,6S,8S)-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-ol?
The canonical SMILES for (1R,3S,4S,6S,8S)-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-ol is C[C@]12C[C@H](O)[C@@H]3O[C@H](C1)[C@]3(C)O2.
What is the InChIKey of (1R,3S,4S,6S,8S)-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-ol?
The InChIKey is IMAPUOYTQJCNNG-BGKGJTHRSA-N. The full InChI is InChI=1S/C9H14O3/c1-8-3-5(10)7-9(2,12-8)6(4-8)11-7/h5-7,10H,3-4H2,1-2H3/t5-,6+,7-,8-,9-/m0/s1.
What are the key properties of (1R,3S,4S,6S,8S)-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-ol?
(1R,3S,4S,6S,8S)-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-ol has a molecular weight of 170.21 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4S,6S,8S)-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-ol is sourced from PubChem (CID 130991446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).