4-methyl-1-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol

C10H18O2 — CID 14191739

IUPAC4-methyl-1-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol
SMILESCC(C)C12CCC(C)(CC1O)O2
InChIInChI=1S/C10H18O2/c1-7(2)10-5-4-9(3,12-10)6-8(10)11/h7-8,11H,4-6H2,1-3H3
InChIKeyRLRGJVNKLQLBDY-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.71
Rot. Bonds1

About 4-methyl-1-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol

4-methyl-1-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol (PubChem CID 14191739) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol
PubChem CID14191739
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-methyl-1-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol
SMILESCC(C)C12CCC(C)(CC1O)O2
InChIInChI=1S/C10H18O2/c1-7(2)10-5-4-9(3,12-10)6-8(10)11/h7-8,11H,4-6H2,1-3H3
InChIKeyRLRGJVNKLQLBDY-UHFFFAOYSA-N
XLogP1.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 4-methyl-1-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol (CID 14191739) is 4-methyl-1-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 4-methyl-1-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 4-methyl-1-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol is CC(C)C12CCC(C)(CC1O)O2.
What is the InChIKey of 4-methyl-1-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol?
The InChIKey is RLRGJVNKLQLBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)10-5-4-9(3,12-10)6-8(10)11/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 4-methyl-1-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol?
4-methyl-1-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol has a molecular weight of 170.25 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 14191739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).