2-(3,3-dimethylbutoxy)pentan-3-ol

C11H24O2 — CID 66225389

IUPAC2-(3,3-dimethylbutoxy)pentan-3-ol
SMILESCCC(O)C(C)OCCC(C)(C)C
InChIInChI=1S/C11H24O2/c1-6-10(12)9(2)13-8-7-11(3,4)5/h9-10,12H,6-8H2,1-5H3
InChIKeyZKFPWDCVEAZBRM-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.60
Rot. Bonds5

About 2-(3,3-dimethylbutoxy)pentan-3-ol

2-(3,3-dimethylbutoxy)pentan-3-ol (PubChem CID 66225389) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)pentan-3-ol.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxy)pentan-3-ol
PubChem CID66225389
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name2-(3,3-dimethylbutoxy)pentan-3-ol
SMILESCCC(O)C(C)OCCC(C)(C)C
InChIInChI=1S/C11H24O2/c1-6-10(12)9(2)13-8-7-11(3,4)5/h9-10,12H,6-8H2,1-5H3
InChIKeyZKFPWDCVEAZBRM-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-dimethylbutoxy)-1-phenylpropan-1-ol
CID 66225387
4,7,7-trimethyloctan-3-ol
CID 63562017
2-(3,3-dimethylbutoxy)-1-(4-methylphenyl)propan-1-ol
CID 66224938
(2R,3S)-2-methoxypentan-3-ol
CID 13427568
3-(3-hydroxypentan-2-yloxy)propane-1,2-diol
CID 123265934
ethyl 2-(3,3-dimethylbutoxy)butanoate
CID 66232205
1-(3,3-dimethylbutoxy)propan-2-ol
CID 66225611
(2S)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ol
CID 103939578
4-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 66224399
2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 66234272
5-(3,3-dimethylbutoxy)pentan-2-ol
CID 66227654
2,6,6-trimethylheptan-3-ol
CID 20577986

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)pentan-3-ol?
The IUPAC name of 2-(3,3-dimethylbutoxy)pentan-3-ol (CID 66225389) is 2-(3,3-dimethylbutoxy)pentan-3-ol.
What is the SMILES notation for 2-(3,3-dimethylbutoxy)pentan-3-ol?
The canonical SMILES for 2-(3,3-dimethylbutoxy)pentan-3-ol is CCC(O)C(C)OCCC(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutoxy)pentan-3-ol?
The InChIKey is ZKFPWDCVEAZBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-6-10(12)9(2)13-8-7-11(3,4)5/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 2-(3,3-dimethylbutoxy)pentan-3-ol?
2-(3,3-dimethylbutoxy)pentan-3-ol has a molecular weight of 188.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutoxy)pentan-3-ol is sourced from PubChem (CID 66225389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).