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

C10H18O2 — CID 130708375

IUPAC(2R)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol
SMILESCC(C)C12CCC(C)(O1)[C@H](O)C2
InChIInChI=1S/C10H18O2/c1-7(2)10-5-4-9(3,12-10)8(11)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9?,10?/m1/s1
InChIKeyIFQZADDJTDGGCP-XNWIYYODSA-N
MW170.25 g/mol
LogP1.71
Rot. Bonds1

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

(2R)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol (PubChem CID 130708375) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2R)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(2R)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol
PubChem CID130708375
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2R)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol
SMILESCC(C)C12CCC(C)(O1)[C@H](O)C2
InChIInChI=1S/C10H18O2/c1-7(2)10-5-4-9(3,12-10)8(11)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9?,10?/m1/s1
InChIKeyIFQZADDJTDGGCP-XNWIYYODSA-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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Related Compounds

1,7,11-trimethyl-4-propan-2-yl-15,16-dioxatricyclo[10.2.1.14,7]hexadec-10-ene-2,8-diol
CID 162935678
1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2-thiol
CID 170568184
(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl) 2-methylpropanoate
CID 171650402
(2S)-1-methyl-2-(2-methylpropoxy)-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 117060709
(1S,3S,5S,8Z,12R,13R)-12-hydroxy-5,9,13-trimethyl-1-propan-2-yl-4,16-dioxatricyclo[11.2.1.03,5]hexadec-8-en-10-one
CID 162818961
methyl 2-[[(2R)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl]oxy]acetate
CID 117062096
(1R,2S,4S)-1-methyl-4-propan-2-yl-2-prop-2-ynoxy-7-oxabicyclo[2.2.1]heptane
CID 88666984
(7R,8S)-5,8-dimethyl-2-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-7-ol
CID 5316317
(1R,2S,3R,4R)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2,3-diol
CID 124867138
(1S,2S,3R,4S)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2,3-diol
CID 131857462
(1R,2R,4R)-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 98049728
(1S,2R)-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 145185480

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (2R)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol (CID 130708375) is (2R)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (2R)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (2R)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol is CC(C)C12CCC(C)(O1)[C@H](O)C2.
What is the InChIKey of (2R)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol?
The InChIKey is IFQZADDJTDGGCP-XNWIYYODSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)10-5-4-9(3,12-10)8(11)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9?,10?/m1/s1.
What are the key properties of (2R)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol?
(2R)-1-methyl-4-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 (2R)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 130708375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).