[(1S,3R,4R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)cyclopentyl]methanol

C12H22O4 — CID 142059683

IUPAC[(1S,3R,4R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)cyclopentyl]methanol
SMILESCC1(C)OCC([C@@H]2C[C@@H](CO)C[C@H]2CO)O1
InChIInChI=1S/C12H22O4/c1-12(2)15-7-11(16-12)10-4-8(5-13)3-9(10)6-14/h8-11,13-14H,3-7H2,1-2H3/t8-,9-,10+,11?/m0/s1
InChIKeyIALAOFALNIKNKU-GKDVJIACSA-N
MW230.30 g/mol
LogP0.76
Rot. Bonds3

About [(1S,3R,4R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)cyclopentyl]methanol

[(1S,3R,4R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)cyclopentyl]methanol (PubChem CID 142059683) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is [(1S,3R,4R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,3R,4R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)cyclopentyl]methanol
PubChem CID142059683
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name[(1S,3R,4R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)cyclopentyl]methanol
SMILESCC1(C)OCC([C@@H]2C[C@@H](CO)C[C@H]2CO)O1
InChIInChI=1S/C12H22O4/c1-12(2)15-7-11(16-12)10-4-8(5-13)3-9(10)6-14/h8-11,13-14H,3-7H2,1-2H3/t8-,9-,10+,11?/m0/s1
InChIKeyIALAOFALNIKNKU-GKDVJIACSA-N
XLogP0.76
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol
CID 85125788
[(5aS,6S,8aR)-6-(hydroxymethyl)-3,3-dimethyl-5,5a,6,7,8,8a-hexahydro-1H-cyclopenta[e][1,3]dioxepin-8-yl]methanol
CID 134865495
4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethylcyclopentyl]-2,2-dimethyl-1,3-dioxolane
CID 70943603
[(2R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyloxiran-2-yl]methanol
CID 131201511
tert-butyl-[[(1S,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]methoxy]-dimethylsilane
CID 102183768
(3aR,4S,6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
CID 71166935
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine
CID 55303426
[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 175677124
(4R)-4-[(1S,2S)-2-(2-bromoethynyl)cyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 137440943
cis-ethyl (1R,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclohexane-1-carboxylate
CID 10377713
[(3S)-5,5-dimethyloxolan-3-yl]methanol
CID 10796767
trans-tert-butyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate;trans-tert-butyl (1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate
CID 158452433

Frequently Asked Questions

What is the IUPAC name of [(1S,3R,4R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)cyclopentyl]methanol?
The IUPAC name of [(1S,3R,4R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)cyclopentyl]methanol (CID 142059683) is [(1S,3R,4R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)cyclopentyl]methanol.
What is the SMILES notation for [(1S,3R,4R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)cyclopentyl]methanol?
The canonical SMILES for [(1S,3R,4R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)cyclopentyl]methanol is CC1(C)OCC([C@@H]2C[C@@H](CO)C[C@H]2CO)O1.
What is the InChIKey of [(1S,3R,4R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)cyclopentyl]methanol?
The InChIKey is IALAOFALNIKNKU-GKDVJIACSA-N. The full InChI is InChI=1S/C12H22O4/c1-12(2)15-7-11(16-12)10-4-8(5-13)3-9(10)6-14/h8-11,13-14H,3-7H2,1-2H3/t8-,9-,10+,11?/m0/s1.
What are the key properties of [(1S,3R,4R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)cyclopentyl]methanol?
[(1S,3R,4R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)cyclopentyl]methanol has a molecular weight of 230.30 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,4R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)cyclopentyl]methanol is sourced from PubChem (CID 142059683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).