(2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-ol

C9H14O4 — CID 11030522

IUPAC(2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-ol
SMILESCC1(C)OC[C@H]([C@H]2OC=C[C@H]2O)O1
InChIInChI=1S/C9H14O4/c1-9(2)12-5-7(13-9)8-6(10)3-4-11-8/h3-4,6-8,10H,5H2,1-2H3/t6-,7-,8+/m1/s1
InChIKeyVBABDCDJPFGOOX-PRJMDXOYSA-N
MW186.21 g/mol
LogP0.41
Rot. Bonds1

About (2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-ol

(2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-ol (PubChem CID 11030522) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is (2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-ol
PubChem CID11030522
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name(2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-ol
SMILESCC1(C)OC[C@H]([C@H]2OC=C[C@H]2O)O1
InChIInChI=1S/C9H14O4/c1-9(2)12-5-7(13-9)8-6(10)3-4-11-8/h3-4,6-8,10H,5H2,1-2H3/t6-,7-,8+/m1/s1
InChIKeyVBABDCDJPFGOOX-PRJMDXOYSA-N
XLogP0.41
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-ol with MolForge

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Related Compounds

2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 14332317
(3aR,4R,7aR)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 101395895
(4aR,7S,7aS)-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol
CID 102332171
(3aR,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 12719632
(3aR,4R,6S,6aR)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 11436871
(5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 12613921
(3aR,5S,6aS)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 70373210
(6R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 58695068
(5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxyoxolan-2-one
CID 59875119
(4S,5S)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxyoxolan-2-one
CID 45039607
(3R,5S)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxyoxolan-2-one
CID 71146583
2,2-dimethyl-4-[(2S)-oxolan-2-yl]-1,3-dioxolane
CID 121404200

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-ol?
The IUPAC name of (2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-ol (CID 11030522) is (2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-ol.
What is the SMILES notation for (2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-ol?
The canonical SMILES for (2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-ol is CC1(C)OC[C@H]([C@H]2OC=C[C@H]2O)O1.
What is the InChIKey of (2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-ol?
The InChIKey is VBABDCDJPFGOOX-PRJMDXOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-9(2)12-5-7(13-9)8-6(10)3-4-11-8/h3-4,6-8,10H,5H2,1-2H3/t6-,7-,8+/m1/s1.
What are the key properties of (2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-ol?
(2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-ol has a molecular weight of 186.21 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-ol is sourced from PubChem (CID 11030522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).