[2-methyl-2-(oxolan-2-yl)-1,3-dioxolan-4-yl]methanol

C9H16O4 — CID 117168913

IUPAC[2-methyl-2-(oxolan-2-yl)-1,3-dioxolan-4-yl]methanol
SMILESCC1(C2CCCO2)OCC(CO)O1
InChIInChI=1S/C9H16O4/c1-9(8-3-2-4-11-8)12-6-7(5-10)13-9/h7-8,10H,2-6H2,1H3
InChIKeyVBQBWKZQRFEOKM-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.29
Rot. Bonds2

About [2-methyl-2-(oxolan-2-yl)-1,3-dioxolan-4-yl]methanol

[2-methyl-2-(oxolan-2-yl)-1,3-dioxolan-4-yl]methanol (PubChem CID 117168913) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is [2-methyl-2-(oxolan-2-yl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-methyl-2-(oxolan-2-yl)-1,3-dioxolan-4-yl]methanol
PubChem CID117168913
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name[2-methyl-2-(oxolan-2-yl)-1,3-dioxolan-4-yl]methanol
SMILESCC1(C2CCCO2)OCC(CO)O1
InChIInChI=1S/C9H16O4/c1-9(8-3-2-4-11-8)12-6-7(5-10)13-9/h7-8,10H,2-6H2,1H3
InChIKeyVBQBWKZQRFEOKM-UHFFFAOYSA-N
XLogP0.29
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methyl-2-(oxan-2-yl)-1,3-dioxolan-4-yl]methanamine
CID 117169010
[2-methyl-2-(oxan-3-yl)-1,3-dioxolan-4-yl]methanol
CID 117168815
[2-(1-ethylpyrrolidin-2-yl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 117168924
methanol;[(2S)-oxolan-2-yl]methanol
CID 144618761
(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane
CID 67855478
hydron;oxolan-2-ylmethanol
CID 174439667
oxolan-2-ylmethanol;hydrochloride
CID 155166529
2-(1-methylcyclohexyl)oxolane
CID 23594551
(2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol
CID 130147634
[(4S)-2-(chloromethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 71445983
calcium;hydride;oxolan-2-ylmethanol
CID 173198677
2-[2-methyl-2-(thian-2-yl)-1,3-dioxolan-4-yl]ethanol
CID 117168937

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(oxolan-2-yl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-methyl-2-(oxolan-2-yl)-1,3-dioxolan-4-yl]methanol (CID 117168913) is [2-methyl-2-(oxolan-2-yl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-methyl-2-(oxolan-2-yl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-methyl-2-(oxolan-2-yl)-1,3-dioxolan-4-yl]methanol is CC1(C2CCCO2)OCC(CO)O1.
What is the InChIKey of [2-methyl-2-(oxolan-2-yl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is VBQBWKZQRFEOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-9(8-3-2-4-11-8)12-6-7(5-10)13-9/h7-8,10H,2-6H2,1H3.
What are the key properties of [2-methyl-2-(oxolan-2-yl)-1,3-dioxolan-4-yl]methanol?
[2-methyl-2-(oxolan-2-yl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 188.22 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(oxolan-2-yl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 117168913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).