(2S)-1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-2-methylbutan-2-ol

C12H24O5 — CID 59901830

IUPAC(2S)-1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-2-methylbutan-2-ol
SMILESCC[C@](C)(O)C(OC)C1OC(C)(C)OC1CO
InChIInChI=1S/C12H24O5/c1-6-12(4,14)10(15-5)9-8(7-13)16-11(2,3)17-9/h8-10,13-14H,6-7H2,1-5H3/t8?,9?,10?,12-/m0/s1
InChIKeyJBFHHORJSOKAFU-YUFPBJEBSA-N
MW248.32 g/mol
LogP0.67
Rot. Bonds5

About (2S)-1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-2-methylbutan-2-ol

(2S)-1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-2-methylbutan-2-ol (PubChem CID 59901830) has the molecular formula C12H24O5 and a molecular weight of 248.32 g/mol. Its IUPAC name is (2S)-1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name(2S)-1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-2-methylbutan-2-ol
PubChem CID59901830
Molecular FormulaC12H24O5
Molecular Weight248.32 g/mol
Exact Mass248.16
IUPAC Name(2S)-1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-2-methylbutan-2-ol
SMILESCC[C@](C)(O)C(OC)C1OC(C)(C)OC1CO
InChIInChI=1S/C12H24O5/c1-6-12(4,14)10(15-5)9-8(7-13)16-11(2,3)17-9/h8-10,13-14H,6-7H2,1-5H3/t8?,9?,10?,12-/m0/s1
InChIKeyJBFHHORJSOKAFU-YUFPBJEBSA-N
XLogP0.67
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-2-methylbutan-2-ol?
The IUPAC name of (2S)-1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-2-methylbutan-2-ol (CID 59901830) is (2S)-1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for (2S)-1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-2-methylbutan-2-ol?
The canonical SMILES for (2S)-1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-2-methylbutan-2-ol is CC[C@](C)(O)C(OC)C1OC(C)(C)OC1CO.
What is the InChIKey of (2S)-1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-2-methylbutan-2-ol?
The InChIKey is JBFHHORJSOKAFU-YUFPBJEBSA-N. The full InChI is InChI=1S/C12H24O5/c1-6-12(4,14)10(15-5)9-8(7-13)16-11(2,3)17-9/h8-10,13-14H,6-7H2,1-5H3/t8?,9?,10?,12-/m0/s1.
What are the key properties of (2S)-1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-2-methylbutan-2-ol?
(2S)-1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-2-methylbutan-2-ol has a molecular weight of 248.32 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 59901830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).