[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-thiophen-2-ylmethanol

C10H14O3S — CID 68902963

IUPAC[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-thiophen-2-ylmethanol
SMILESCC1(C)OC[C@H](C(O)c2cccs2)O1
InChIInChI=1S/C10H14O3S/c1-10(2)12-6-7(13-10)9(11)8-4-3-5-14-8/h3-5,7,9,11H,6H2,1-2H3/t7-,9?/m1/s1
InChIKeyMWSBZOKNXSSMQY-YOXFSPIKSA-N
MW214.29 g/mol
LogP1.93
Rot. Bonds2

About [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-thiophen-2-ylmethanol

[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-thiophen-2-ylmethanol (PubChem CID 68902963) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-thiophen-2-ylmethanol.

Molecular Properties

Compound Name[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-thiophen-2-ylmethanol
PubChem CID68902963
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-thiophen-2-ylmethanol
SMILESCC1(C)OC[C@H](C(O)c2cccs2)O1
InChIInChI=1S/C10H14O3S/c1-10(2)12-6-7(13-10)9(11)8-4-3-5-14-8/h3-5,7,9,11H,6H2,1-2H3/t7-,9?/m1/s1
InChIKeyMWSBZOKNXSSMQY-YOXFSPIKSA-N
XLogP1.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[(R)-hydroxy(thiophen-2-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 11244860
(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[hydroxy(thiophen-2-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 102244812
(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 122451653
bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 4047032
oxolan-2-yl(thiophen-2-yl)methanol
CID 61087499
(2-methyloxan-2-yl)-thiophen-2-ylmethanol
CID 80685813
(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[5-(phenylmethoxymethyl)furan-2-yl]methanol
CID 15098486
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]benzamide
CID 122388100
(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylbut-3-en-1-ol
CID 101024516
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylbut-3-en-1-ol
CID 101024514
cyclopentyl(thiophen-2-yl)methanol
CID 43753540
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 68974036

Frequently Asked Questions

What is the IUPAC name of [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-thiophen-2-ylmethanol?
The IUPAC name of [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-thiophen-2-ylmethanol (CID 68902963) is [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-thiophen-2-ylmethanol.
What is the SMILES notation for [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-thiophen-2-ylmethanol?
The canonical SMILES for [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-thiophen-2-ylmethanol is CC1(C)OC[C@H](C(O)c2cccs2)O1.
What is the InChIKey of [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-thiophen-2-ylmethanol?
The InChIKey is MWSBZOKNXSSMQY-YOXFSPIKSA-N. The full InChI is InChI=1S/C10H14O3S/c1-10(2)12-6-7(13-10)9(11)8-4-3-5-14-8/h3-5,7,9,11H,6H2,1-2H3/t7-,9?/m1/s1.
What are the key properties of [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-thiophen-2-ylmethanol?
[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-thiophen-2-ylmethanol has a molecular weight of 214.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-thiophen-2-ylmethanol is sourced from PubChem (CID 68902963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).