2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-ol

C12H22O3 — CID 104673606

IUPAC2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-ol
SMILESCOC1C(O)CC1OC1CCCCC1C
InChIInChI=1S/C12H22O3/c1-8-5-3-4-6-10(8)15-11-7-9(13)12(11)14-2/h8-13H,3-7H2,1-2H3
InChIKeyQBAGSXMVBUZJMT-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.73
Rot. Bonds3

About 2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-ol

2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-ol (PubChem CID 104673606) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-ol.

Molecular Properties

Compound Name2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-ol
PubChem CID104673606
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-ol
SMILESCOC1C(O)CC1OC1CCCCC1C
InChIInChI=1S/C12H22O3/c1-8-5-3-4-6-10(8)15-11-7-9(13)12(11)14-2/h8-13H,3-7H2,1-2H3
InChIKeyQBAGSXMVBUZJMT-UHFFFAOYSA-N
XLogP1.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-ol?
The IUPAC name of 2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-ol (CID 104673606) is 2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-ol.
What is the SMILES notation for 2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-ol?
The canonical SMILES for 2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-ol is COC1C(O)CC1OC1CCCCC1C.
What is the InChIKey of 2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-ol?
The InChIKey is QBAGSXMVBUZJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-8-5-3-4-6-10(8)15-11-7-9(13)12(11)14-2/h8-13H,3-7H2,1-2H3.
What are the key properties of 2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-ol?
2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-ol has a molecular weight of 214.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-ol is sourced from PubChem (CID 104673606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).