2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propane-1,3-diol

C8H16O4 — CID 86098194

IUPAC2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propane-1,3-diol
SMILESCC1(CC(CO)CO)OCCO1
InChIInChI=1S/C8H16O4/c1-8(11-2-3-12-8)4-7(5-9)6-10/h7,9-10H,2-6H2,1H3
InChIKeyOAZYGGWRLGTSMT-UHFFFAOYSA-N
MW176.21 g/mol
LogP-0.26
Rot. Bonds4

About 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propane-1,3-diol

2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propane-1,3-diol (PubChem CID 86098194) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propane-1,3-diol
PubChem CID86098194
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propane-1,3-diol
SMILESCC1(CC(CO)CO)OCCO1
InChIInChI=1S/C8H16O4/c1-8(11-2-3-12-8)4-7(5-9)6-10/h7,9-10H,2-6H2,1H3
InChIKeyOAZYGGWRLGTSMT-UHFFFAOYSA-N
XLogP-0.26
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methyl-1,3-dioxolan-2-yl)propane-1,2-diol
CID 71381727
diethyl 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propanedioate
CID 131876842
2-(2-hydroxyethylamino)-3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid
CID 123306359
4-(2-methyl-1,3-dioxolan-2-yl)-3-nitrobutan-2-ol
CID 13303205
2-[(2R)-5-iodo-2-methylpentyl]-2-methyl-1,3-dioxolane
CID 10990159
1,1,2,2-tetradeuterio-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-ol
CID 46782226
2-(2-methyl-1,3-dioxolan-2-yl)butan-1-ol
CID 59735081
2-(2-methyl-1,3-dioxolan-2-yl)-1-(2-propan-2-yl-1,3-dithian-2-yl)ethanol
CID 10989993
lithium 2-ethyl-2-methyl-1,3-dioxolane
CID 135050321
Se-methyl 3-(2-methyl-1,3-dioxolan-2-yl)propaneselenoate
CID 13496983
2-methyl-2-[1-(2-methyl-1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane
CID 13347477
2-methyl-2-(3-methylbut-3-enyl)-1,3-dioxolane
CID 130120416

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propane-1,3-diol?
The IUPAC name of 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propane-1,3-diol (CID 86098194) is 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propane-1,3-diol?
The canonical SMILES for 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propane-1,3-diol is CC1(CC(CO)CO)OCCO1.
What is the InChIKey of 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propane-1,3-diol?
The InChIKey is OAZYGGWRLGTSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-8(11-2-3-12-8)4-7(5-9)6-10/h7,9-10H,2-6H2,1H3.
What are the key properties of 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propane-1,3-diol?
2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propane-1,3-diol has a molecular weight of 176.21 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propane-1,3-diol is sourced from PubChem (CID 86098194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).