[5-(2-methylpropyl)-1,4-dioxan-2-yl]methanol

C9H18O3 — CID 153300794

IUPAC[5-(2-methylpropyl)-1,4-dioxan-2-yl]methanol
SMILESCC(C)CC1COC(CO)CO1
InChIInChI=1S/C9H18O3/c1-7(2)3-8-5-12-9(4-10)6-11-8/h7-10H,3-6H2,1-2H3
InChIKeyYMTIMZGMSFBRKC-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.81
Rot. Bonds3

About [5-(2-methylpropyl)-1,4-dioxan-2-yl]methanol

[5-(2-methylpropyl)-1,4-dioxan-2-yl]methanol (PubChem CID 153300794) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is [5-(2-methylpropyl)-1,4-dioxan-2-yl]methanol.

Molecular Properties

Compound Name[5-(2-methylpropyl)-1,4-dioxan-2-yl]methanol
PubChem CID153300794
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name[5-(2-methylpropyl)-1,4-dioxan-2-yl]methanol
SMILESCC(C)CC1COC(CO)CO1
InChIInChI=1S/C9H18O3/c1-7(2)3-8-5-12-9(4-10)6-11-8/h7-10H,3-6H2,1-2H3
InChIKeyYMTIMZGMSFBRKC-UHFFFAOYSA-N
XLogP0.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropan-1-ol;oxiran-2-ylmethanol
CID 174774669
2-methyl-1-(2-methylpropoxy)propane;oxiran-2-ylmethanol
CID 174542269
oxiran-2-ylmethanol;propane
CID 91466926
3-methyl-1-(3-methylbutoxy)butane;oxiran-2-ylmethanol
CID 174734254
molecular iodine;oxiran-2-ylmethanol
CID 159687317
4-methyl-1-(oxiran-2-yl)pentan-2-ol
CID 102308160
(5-amino-1,4-dioxan-2-yl)methanol
CID 155158463
ethanol;methane;oxiran-2-ylmethanol;prop-1-ene
CID 160753688
oxiran-2-ylmethanol;propylsilane
CID 174273260
[(2S,5R)-5-(aminomethyl)-1,4-dioxan-2-yl]methanol;hydrochloride
CID 155978477
2-(2,4-dimethylpentyl)oxirane
CID 14618591
cyanic acid;oxiran-2-ylmethanol
CID 175278425

Frequently Asked Questions

What is the IUPAC name of [5-(2-methylpropyl)-1,4-dioxan-2-yl]methanol?
The IUPAC name of [5-(2-methylpropyl)-1,4-dioxan-2-yl]methanol (CID 153300794) is [5-(2-methylpropyl)-1,4-dioxan-2-yl]methanol.
What is the SMILES notation for [5-(2-methylpropyl)-1,4-dioxan-2-yl]methanol?
The canonical SMILES for [5-(2-methylpropyl)-1,4-dioxan-2-yl]methanol is CC(C)CC1COC(CO)CO1.
What is the InChIKey of [5-(2-methylpropyl)-1,4-dioxan-2-yl]methanol?
The InChIKey is YMTIMZGMSFBRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-7(2)3-8-5-12-9(4-10)6-11-8/h7-10H,3-6H2,1-2H3.
What are the key properties of [5-(2-methylpropyl)-1,4-dioxan-2-yl]methanol?
[5-(2-methylpropyl)-1,4-dioxan-2-yl]methanol has a molecular weight of 174.24 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpropyl)-1,4-dioxan-2-yl]methanol is sourced from PubChem (CID 153300794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).