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

C9H14O4 — CID 134856593

IUPAC(3S)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydrofuran-3-ol
SMILESCC1(C)OCC(C2OC=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?/m0/s1
InChIKeyVBABDCDJPFGOOX-KKMMWDRVSA-N
MW186.21 g/mol
LogP0.41
Rot. Bonds1

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

(3S)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydrofuran-3-ol (PubChem CID 134856593) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is (3S)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydrofuran-3-ol.

Molecular Properties

Compound Name(3S)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydrofuran-3-ol
PubChem CID134856593
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name(3S)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydrofuran-3-ol
SMILESCC1(C)OCC(C2OC=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?/m0/s1
InChIKeyVBABDCDJPFGOOX-KKMMWDRVSA-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

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydrofuran-3-ol?
The IUPAC name of (3S)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydrofuran-3-ol (CID 134856593) is (3S)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydrofuran-3-ol.
What is the SMILES notation for (3S)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydrofuran-3-ol?
The canonical SMILES for (3S)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydrofuran-3-ol is CC1(C)OCC(C2OC=C[C@@H]2O)O1.
What is the InChIKey of (3S)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydrofuran-3-ol?
The InChIKey is VBABDCDJPFGOOX-KKMMWDRVSA-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?/m0/s1.
What are the key properties of (3S)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydrofuran-3-ol?
(3S)-2-(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 (3S)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydrofuran-3-ol is sourced from PubChem (CID 134856593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).