(3R)-3-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol

C6H10O4 — CID 134866326

IUPAC(3R)-3-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol
SMILESOC[C@H]1OC2COC2C1O
InChIInChI=1S/C6H10O4/c7-1-3-5(8)6-4(10-3)2-9-6/h3-8H,1-2H2/t3-,4?,5?,6?/m1/s1
InChIKeyQYRVENKUFPCNRV-OMEINRLFSA-N
MW146.14 g/mol
LogP-1.49
Rot. Bonds1

About (3R)-3-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol

(3R)-3-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol (PubChem CID 134866326) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (3R)-3-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol.

Molecular Properties

Compound Name(3R)-3-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol
PubChem CID134866326
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(3R)-3-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol
SMILESOC[C@H]1OC2COC2C1O
InChIInChI=1S/C6H10O4/c7-1-3-5(8)6-4(10-3)2-9-6/h3-8H,1-2H2/t3-,4?,5?,6?/m1/s1
InChIKeyQYRVENKUFPCNRV-OMEINRLFSA-N
XLogP-1.49
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,3R,4R,7R,9R,11R,12R,15R,17R,19S,20R,22R,24R,25R,28R,30R,32R,33R,36R,38R,40S,41R,43R,44R,45R,46R,47R,48R,49R,50R)-20,41-bis(hydroxymethyl)-2,5,8,10,13,16,18,21,23,26,29,31,34,37,39,42-hexadecaoxaundecacyclo[38.2.2.219,22.14,9.112,17.125,30.133,38.03,7.011,15.024,28.032,36]pentacontane-43,44,45,46,47,48,49,50-octol
CID 91847709
(1R,3S,4R,7S,11S,12S,14R,16S,17R,20S,24S,25S)-5,18-bis(hydroxymethyl)-2,6,8,15,19,21,27,29-octaoxapentacyclo[21.3.1.13,7.110,14.116,20]triacontane-4,11,12,13,17,24,25,26,28,30-decol
CID 91408528
(2S,4S,5R)-2-[[(3R,8R)-3,4-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71273713
12,25-bis(hydroxymethyl)-2,9,11,15,22,24,29-heptaoxatetracyclo[21.3.1.13,7.110,14]nonacosane-4,5,6,13,17,18,19,20,26,27,28-undecol
CID 70940829
(2R,5S)-4-[[(3R,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-6-(hydroxymethyl)oxane-2,3,5-triol
CID 70916892
(2S,3S,3aS,6aS)-3-hydroxy-2-(hydroxymethyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 11148015
(1R,3S,4R,5R,8R)-2,6-dioxabicyclo[3.2.1]octane-3,4,8-triol
CID 57197659
(1R,3S,4R,5R,8S)-2,6-dioxabicyclo[3.2.1]octane-3,4,8-triol
CID 57323795
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(3aR,5R,6S,7S,7aS)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2,6,7-triol
CID 102475258

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol?
The IUPAC name of (3R)-3-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol (CID 134866326) is (3R)-3-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol.
What is the SMILES notation for (3R)-3-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol?
The canonical SMILES for (3R)-3-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol is OC[C@H]1OC2COC2C1O.
What is the InChIKey of (3R)-3-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol?
The InChIKey is QYRVENKUFPCNRV-OMEINRLFSA-N. The full InChI is InChI=1S/C6H10O4/c7-1-3-5(8)6-4(10-3)2-9-6/h3-8H,1-2H2/t3-,4?,5?,6?/m1/s1.
What are the key properties of (3R)-3-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol?
(3R)-3-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol has a molecular weight of 146.14 g/mol, XLogP of -1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol is sourced from PubChem (CID 134866326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).