2-methyl-2-(oxan-4-ylmethyl)butan-1-ol

C11H22O2 — CID 66058541

IUPAC2-methyl-2-(oxan-4-ylmethyl)butan-1-ol
SMILESCCC(C)(CO)CC1CCOCC1
InChIInChI=1S/C11H22O2/c1-3-11(2,9-12)8-10-4-6-13-7-5-10/h10,12H,3-9H2,1-2H3
InChIKeyKQFPVTXJFBLICY-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.21
Rot. Bonds4

About 2-methyl-2-(oxan-4-ylmethyl)butan-1-ol

2-methyl-2-(oxan-4-ylmethyl)butan-1-ol (PubChem CID 66058541) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-methyl-2-(oxan-4-ylmethyl)butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(oxan-4-ylmethyl)butan-1-ol
PubChem CID66058541
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-methyl-2-(oxan-4-ylmethyl)butan-1-ol
SMILESCCC(C)(CO)CC1CCOCC1
InChIInChI=1S/C11H22O2/c1-3-11(2,9-12)8-10-4-6-13-7-5-10/h10,12H,3-9H2,1-2H3
InChIKeyKQFPVTXJFBLICY-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(bromomethyl)-2-methylbutyl]oxane
CID 66050045
2-ethyl-2-(oxan-4-ylmethyl)propane-1,3-diol
CID 79450037
2-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)butan-1-amine
CID 55107237
N,2-dimethyl-2-(oxan-4-ylmethyl)pentan-1-amine
CID 62725215
2,2-dimethyl-3-(oxan-4-yl)propanal
CID 87406928
2-(aminomethyl)-3-cyclobutyl-2-methylpropan-1-ol
CID 84716654
2-cyclopropyl-1-(oxan-4-yl)propan-2-amine
CID 82237683
3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine
CID 115685650
oxan-4-ylmethanol
CID 2773573
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol
CID 79550101
2-(oxan-4-ylmethyl)butan-1-ol
CID 66059203
3-(oxolan-3-ylmethyl)pentan-3-ol
CID 14783553

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxan-4-ylmethyl)butan-1-ol?
The IUPAC name of 2-methyl-2-(oxan-4-ylmethyl)butan-1-ol (CID 66058541) is 2-methyl-2-(oxan-4-ylmethyl)butan-1-ol.
What is the SMILES notation for 2-methyl-2-(oxan-4-ylmethyl)butan-1-ol?
The canonical SMILES for 2-methyl-2-(oxan-4-ylmethyl)butan-1-ol is CCC(C)(CO)CC1CCOCC1.
What is the InChIKey of 2-methyl-2-(oxan-4-ylmethyl)butan-1-ol?
The InChIKey is KQFPVTXJFBLICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-11(2,9-12)8-10-4-6-13-7-5-10/h10,12H,3-9H2,1-2H3.
What are the key properties of 2-methyl-2-(oxan-4-ylmethyl)butan-1-ol?
2-methyl-2-(oxan-4-ylmethyl)butan-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxan-4-ylmethyl)butan-1-ol is sourced from PubChem (CID 66058541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).