6-[(1-methylcyclobutyl)methyl]oxan-3-ol

C11H20O2 — CID 123152651

IUPAC6-[(1-methylcyclobutyl)methyl]oxan-3-ol
SMILESCC1(CC2CCC(O)CO2)CCC1
InChIInChI=1S/C11H20O2/c1-11(5-2-6-11)7-10-4-3-9(12)8-13-10/h9-10,12H,2-8H2,1H3
InChIKeyYDWLTGRPVNBBAA-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.11
Rot. Bonds2

About 6-[(1-methylcyclobutyl)methyl]oxan-3-ol

6-[(1-methylcyclobutyl)methyl]oxan-3-ol (PubChem CID 123152651) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 6-[(1-methylcyclobutyl)methyl]oxan-3-ol.

Molecular Properties

Compound Name6-[(1-methylcyclobutyl)methyl]oxan-3-ol
PubChem CID123152651
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name6-[(1-methylcyclobutyl)methyl]oxan-3-ol
SMILESCC1(CC2CCC(O)CO2)CCC1
InChIInChI=1S/C11H20O2/c1-11(5-2-6-11)7-10-4-3-9(12)8-13-10/h9-10,12H,2-8H2,1H3
InChIKeyYDWLTGRPVNBBAA-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Oxaspiro[3.5]nonan-2-ol
CID 155894921
(1R,2S,6R)-2-hydroxymethyl-2,6-dimethyl-3-oxabicyclo(4.2.0)octane
CID 91099199
3-Ethoxyspiro[3.5]nonan-1-ol
CID 54595222
{5-Oxaspiro[3.5]nonan-6-yl}methanol
CID 130584302
(6-Oxaspiro(3.5)nonan-7-yl)methanol
CID 146155327
2,4,4-Trimethyloxan-3-ol
CID 90992688
(2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(hydroxymethyl)-4-methyloxan-3-ol
CID 59065114
(2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)oxane-3,4-diol
CID 59065117
(2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxane-3,5-diol
CID 59065124
(2S,3R,4R,5S,6R)-2-tert-butyl-5-fluoro-6-(fluoromethyl)-4-methyloxan-3-ol
CID 59065128
(2S,3S,4R,6S)-2-tert-butyl-4-fluoro-6-(fluoromethyl)oxan-3-ol
CID 59065131
(2S,3R,4S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxan-3-ol
CID 59065137

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylcyclobutyl)methyl]oxan-3-ol?
The IUPAC name of 6-[(1-methylcyclobutyl)methyl]oxan-3-ol (CID 123152651) is 6-[(1-methylcyclobutyl)methyl]oxan-3-ol.
What is the SMILES notation for 6-[(1-methylcyclobutyl)methyl]oxan-3-ol?
The canonical SMILES for 6-[(1-methylcyclobutyl)methyl]oxan-3-ol is CC1(CC2CCC(O)CO2)CCC1.
What is the InChIKey of 6-[(1-methylcyclobutyl)methyl]oxan-3-ol?
The InChIKey is YDWLTGRPVNBBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-11(5-2-6-11)7-10-4-3-9(12)8-13-10/h9-10,12H,2-8H2,1H3.
What are the key properties of 6-[(1-methylcyclobutyl)methyl]oxan-3-ol?
6-[(1-methylcyclobutyl)methyl]oxan-3-ol has a molecular weight of 184.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylcyclobutyl)methyl]oxan-3-ol is sourced from PubChem (CID 123152651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).