3-(5,5-dimethyloxolan-3-yl)-2-methylbutan-1-ol

C11H22O2 — CID 91440624

IUPAC3-(5,5-dimethyloxolan-3-yl)-2-methylbutan-1-ol
SMILESCC(CO)C(C)C1COC(C)(C)C1
InChIInChI=1S/C11H22O2/c1-8(6-12)9(2)10-5-11(3,4)13-7-10/h8-10,12H,5-7H2,1-4H3
InChIKeyTULVMZOTABNGEX-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.07
Rot. Bonds3

About 3-(5,5-dimethyloxolan-3-yl)-2-methylbutan-1-ol

3-(5,5-dimethyloxolan-3-yl)-2-methylbutan-1-ol (PubChem CID 91440624) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-(5,5-dimethyloxolan-3-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-(5,5-dimethyloxolan-3-yl)-2-methylbutan-1-ol
PubChem CID91440624
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-(5,5-dimethyloxolan-3-yl)-2-methylbutan-1-ol
SMILESCC(CO)C(C)C1COC(C)(C)C1
InChIInChI=1S/C11H22O2/c1-8(6-12)9(2)10-5-11(3,4)13-7-10/h8-10,12H,5-7H2,1-4H3
InChIKeyTULVMZOTABNGEX-UHFFFAOYSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5,5-dimethyloxolan-3-yl)oxy-2-propan-2-yloxyethanol
CID 123899410
(2S,3R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol
CID 14061487
[(3S)-5,5-dimethyloxolan-3-yl]methanol
CID 10796767
(4R)-2,2-dimethyl-4-(2-methylbutyl)oxolane
CID 175625697
(5-amino-2,2-dimethyloxan-4-yl)methanol
CID 162343129
2-butan-2-yloxy-2-(5,5-dimethyloxolan-3-yl)oxyethanol
CID 123155516
[(1R,2S)-3-azido-1-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane
CID 149426365
(4S,5S)-5-amino-2,2-dimethyloxan-4-ol
CID 118036455
5-amino-2,2-dimethyloxan-4-ol
CID 123616838
2-[(2,2-dimethyloxan-4-yl)amino]-3-methylbutan-1-ol
CID 79254749
4-(2,2-difluoropropyl)-2,2-dimethyloxolane
CID 143114832
5-fluoro-5-(hydroxymethyl)oxolan-3-ol
CID 150245788

Frequently Asked Questions

What is the IUPAC name of 3-(5,5-dimethyloxolan-3-yl)-2-methylbutan-1-ol?
The IUPAC name of 3-(5,5-dimethyloxolan-3-yl)-2-methylbutan-1-ol (CID 91440624) is 3-(5,5-dimethyloxolan-3-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 3-(5,5-dimethyloxolan-3-yl)-2-methylbutan-1-ol?
The canonical SMILES for 3-(5,5-dimethyloxolan-3-yl)-2-methylbutan-1-ol is CC(CO)C(C)C1COC(C)(C)C1.
What is the InChIKey of 3-(5,5-dimethyloxolan-3-yl)-2-methylbutan-1-ol?
The InChIKey is TULVMZOTABNGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-8(6-12)9(2)10-5-11(3,4)13-7-10/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 3-(5,5-dimethyloxolan-3-yl)-2-methylbutan-1-ol?
3-(5,5-dimethyloxolan-3-yl)-2-methylbutan-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-dimethyloxolan-3-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 91440624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).