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

C10H18O4 — CID 117168815

IUPAC[2-methyl-2-(oxan-3-yl)-1,3-dioxolan-4-yl]methanol
SMILESCC1(C2CCCOC2)OCC(CO)O1
InChIInChI=1S/C10H18O4/c1-10(8-3-2-4-12-6-8)13-7-9(5-11)14-10/h8-9,11H,2-7H2,1H3
InChIKeyULVAMOYPDGTDBS-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.54
Rot. Bonds2

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

[2-methyl-2-(oxan-3-yl)-1,3-dioxolan-4-yl]methanol (PubChem CID 117168815) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is [2-methyl-2-(oxan-3-yl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-methyl-2-(oxan-3-yl)-1,3-dioxolan-4-yl]methanol
PubChem CID117168815
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name[2-methyl-2-(oxan-3-yl)-1,3-dioxolan-4-yl]methanol
SMILESCC1(C2CCCOC2)OCC(CO)O1
InChIInChI=1S/C10H18O4/c1-10(8-3-2-4-12-6-8)13-7-9(5-11)14-10/h8-9,11H,2-7H2,1H3
InChIKeyULVAMOYPDGTDBS-UHFFFAOYSA-N
XLogP0.54
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-methyl-2-(oxan-3-yl)-1,3-dioxolan-4-yl]methanol with MolForge

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Related Compounds

[2-methyl-2-(oxolan-2-yl)-1,3-dioxolan-4-yl]methanol
CID 117168913
[2-(1-ethylpyrrolidin-2-yl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 117168924
3-[2-methyl-2-(oxan-4-yl)-1,3-dioxolan-4-yl]propanoic acid
CID 117168507
2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)acetic acid
CID 117170091
(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane
CID 67855478
2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)ethanamine
CID 117170087
3-hydroxy-3-methyl-1-(oxan-3-yl)cyclobutane-1-carboxylic acid
CID 115028730
(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
2-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227438
3,3-difluoro-1-(oxan-3-yl)cyclobutane-1-carboxylic acid
CID 115031854
4-(oxan-3-yl)piperidin-4-ol
CID 107135511

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(oxan-3-yl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-methyl-2-(oxan-3-yl)-1,3-dioxolan-4-yl]methanol (CID 117168815) is [2-methyl-2-(oxan-3-yl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-methyl-2-(oxan-3-yl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-methyl-2-(oxan-3-yl)-1,3-dioxolan-4-yl]methanol is CC1(C2CCCOC2)OCC(CO)O1.
What is the InChIKey of [2-methyl-2-(oxan-3-yl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is ULVAMOYPDGTDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-10(8-3-2-4-12-6-8)13-7-9(5-11)14-10/h8-9,11H,2-7H2,1H3.
What are the key properties of [2-methyl-2-(oxan-3-yl)-1,3-dioxolan-4-yl]methanol?
[2-methyl-2-(oxan-3-yl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 202.25 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(oxan-3-yl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 117168815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).