(1R,4S,6S,7S)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol

C7H12O3 — CID 134368416

IUPAC(1R,4S,6S,7S)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol
SMILESC[C@@H]1O[C@H]2CO[C@]1(C)[C@H]2O
InChIInChI=1S/C7H12O3/c1-4-7(2)6(8)5(10-4)3-9-7/h4-6,8H,3H2,1-2H3/t4-,5-,6-,7-/m0/s1
InChIKeyKMQPGNZPZIBRKN-AXMZGBSTSA-N
MW144.17 g/mol
LogP-0.08
Rot. Bonds

About (1R,4S,6S,7S)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol

(1R,4S,6S,7S)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol (PubChem CID 134368416) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (1R,4S,6S,7S)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol.

Molecular Properties

Compound Name(1R,4S,6S,7S)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol
PubChem CID134368416
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(1R,4S,6S,7S)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol
SMILESC[C@@H]1O[C@H]2CO[C@]1(C)[C@H]2O
InChIInChI=1S/C7H12O3/c1-4-7(2)6(8)5(10-4)3-9-7/h4-6,8H,3H2,1-2H3/t4-,5-,6-,7-/m0/s1
InChIKeyKMQPGNZPZIBRKN-AXMZGBSTSA-N
XLogP-0.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,6S,7S)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol?
The IUPAC name of (1R,4S,6S,7S)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol (CID 134368416) is (1R,4S,6S,7S)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol.
What is the SMILES notation for (1R,4S,6S,7S)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol?
The canonical SMILES for (1R,4S,6S,7S)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol is C[C@@H]1O[C@H]2CO[C@]1(C)[C@H]2O.
What is the InChIKey of (1R,4S,6S,7S)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol?
The InChIKey is KMQPGNZPZIBRKN-AXMZGBSTSA-N. The full InChI is InChI=1S/C7H12O3/c1-4-7(2)6(8)5(10-4)3-9-7/h4-6,8H,3H2,1-2H3/t4-,5-,6-,7-/m0/s1.
What are the key properties of (1R,4S,6S,7S)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol?
(1R,4S,6S,7S)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol has a molecular weight of 144.17 g/mol, XLogP of -0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,6S,7S)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol is sourced from PubChem (CID 134368416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).