1-(3,6-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl)propan-1-ol

C11H20O2 — CID 89081888

IUPAC1-(3,6-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl)propan-1-ol
SMILESCCC(O)C1C(C)C2CC1C(C)O2
InChIInChI=1S/C11H20O2/c1-4-9(12)11-6(2)10-5-8(11)7(3)13-10/h6-12H,4-5H2,1-3H3
InChIKeyPGURELIZBOSPHP-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.82
Rot. Bonds2

About 1-(3,6-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl)propan-1-ol

1-(3,6-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl)propan-1-ol (PubChem CID 89081888) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(3,6-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3,6-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl)propan-1-ol
PubChem CID89081888
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(3,6-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl)propan-1-ol
SMILESCCC(O)C1C(C)C2CC1C(C)O2
InChIInChI=1S/C11H20O2/c1-4-9(12)11-6(2)10-5-8(11)7(3)13-10/h6-12H,4-5H2,1-3H3
InChIKeyPGURELIZBOSPHP-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl)propan-1-ol?
The IUPAC name of 1-(3,6-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl)propan-1-ol (CID 89081888) is 1-(3,6-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl)propan-1-ol.
What is the SMILES notation for 1-(3,6-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl)propan-1-ol?
The canonical SMILES for 1-(3,6-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl)propan-1-ol is CCC(O)C1C(C)C2CC1C(C)O2.
What is the InChIKey of 1-(3,6-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl)propan-1-ol?
The InChIKey is PGURELIZBOSPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-9(12)11-6(2)10-5-8(11)7(3)13-10/h6-12H,4-5H2,1-3H3.
What are the key properties of 1-(3,6-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl)propan-1-ol?
1-(3,6-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl)propan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethyl-2-oxabicyclo[2.2.1]heptan-5-yl)propan-1-ol is sourced from PubChem (CID 89081888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).