[(4S,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

C12H22O3 — CID 102107680

IUPAC[(4S,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@@H](CO)[C@H](C2CCCCC2)O1
InChIInChI=1S/C12H22O3/c1-12(2)14-10(8-13)11(15-12)9-6-4-3-5-7-9/h9-11,13H,3-8H2,1-2H3/t10-,11-/m0/s1
InChIKeyQEMHPEPHHLMWAP-QWRGUYRKSA-N
MW214.30 g/mol
LogP2.08
Rot. Bonds2

About [(4S,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

[(4S,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 102107680) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is [(4S,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
PubChem CID102107680
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name[(4S,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@@H](CO)[C@H](C2CCCCC2)O1
InChIInChI=1S/C12H22O3/c1-12(2)14-10(8-13)11(15-12)9-6-4-3-5-7-9/h9-11,13H,3-8H2,1-2H3/t10-,11-/m0/s1
InChIKeyQEMHPEPHHLMWAP-QWRGUYRKSA-N
XLogP2.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4S,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (CID 102107680) is [(4S,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4S,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4S,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is CC1(C)O[C@@H](CO)[C@H](C2CCCCC2)O1.
What is the InChIKey of [(4S,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is QEMHPEPHHLMWAP-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H22O3/c1-12(2)14-10(8-13)11(15-12)9-6-4-3-5-7-9/h9-11,13H,3-8H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of [(4S,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
[(4S,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 214.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 102107680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).