[(1S,3S,5S)-7-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]methanol

C7H12O3 — CID 121245668

IUPAC[(1S,3S,5S)-7-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]methanol
SMILESCC1O[C@H]2C[C@@H](CO)O[C@@H]12
InChIInChI=1S/C7H12O3/c1-4-7-6(9-4)2-5(3-8)10-7/h4-8H,2-3H2,1H3/t4?,5-,6-,7-/m0/s1
InChIKeyTZQAQUUTKXQPDN-KXKONJJBSA-N
MW144.17 g/mol
LogP-0.08
Rot. Bonds1

About [(1S,3S,5S)-7-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]methanol

[(1S,3S,5S)-7-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]methanol (PubChem CID 121245668) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is [(1S,3S,5S)-7-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]methanol.

Molecular Properties

Compound Name[(1S,3S,5S)-7-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]methanol
PubChem CID121245668
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name[(1S,3S,5S)-7-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]methanol
SMILESCC1O[C@H]2C[C@@H](CO)O[C@@H]12
InChIInChI=1S/C7H12O3/c1-4-7-6(9-4)2-5(3-8)10-7/h4-8H,2-3H2,1H3/t4?,5-,6-,7-/m0/s1
InChIKeyTZQAQUUTKXQPDN-KXKONJJBSA-N
XLogP-0.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,5S)-4-bromo-5-methyloxolan-2-yl]methanol
CID 140536422
ethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol
CID 143276488
[(4S)-4,6-dimethyloxan-2-yl]methanol
CID 59821303
CID 159348131
CID 159348131
(4-methyl-5-sulfanyloxolan-2-yl)methanol
CID 163849381
(5-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methanol
CID 154314809
(5-ethyl-4-methyloxolan-2-yl)methanol
CID 90933878
[(2S,3S,5R)-2,5-dimethyloxolan-3-yl]methanol
CID 171816838
(2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol
CID 129171598
[(1R,2R,4S)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol
CID 88623033
4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ylmethanol
CID 102221162
(3aS,5R,6S,7S,7aR)-2-(aminomethyl)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-6,7-diol
CID 131859263

Frequently Asked Questions

What is the IUPAC name of [(1S,3S,5S)-7-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]methanol?
The IUPAC name of [(1S,3S,5S)-7-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]methanol (CID 121245668) is [(1S,3S,5S)-7-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]methanol.
What is the SMILES notation for [(1S,3S,5S)-7-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]methanol?
The canonical SMILES for [(1S,3S,5S)-7-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]methanol is CC1O[C@H]2C[C@@H](CO)O[C@@H]12.
What is the InChIKey of [(1S,3S,5S)-7-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]methanol?
The InChIKey is TZQAQUUTKXQPDN-KXKONJJBSA-N. The full InChI is InChI=1S/C7H12O3/c1-4-7-6(9-4)2-5(3-8)10-7/h4-8H,2-3H2,1H3/t4?,5-,6-,7-/m0/s1.
What are the key properties of [(1S,3S,5S)-7-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]methanol?
[(1S,3S,5S)-7-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]methanol has a molecular weight of 144.17 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S,5S)-7-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]methanol is sourced from PubChem (CID 121245668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).