2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol

Name: 2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₂₂O₂ — CID 123870350

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol

SMILESCC(C)(C)CCOC(C)(C)CO

InChIInChI=1S/C10H22O2/c1-9(2,3)6-7-12-10(4,5)8-11/h11H,6-8H2,1-5H3

InChIKeyYZHFAALCWPPOKS-UHFFFAOYSA-N

MW174.28 g/mol

LogP2.21

Rot. Bonds4

About 2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol

2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol (PubChem CID 123870350) has the molecular formula C₁₀H₂₂O₂ and a molecular weight of 174.28 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol.

Molecular Properties

Compound Name	2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol
PubChem CID	123870350
Molecular Formula	C₁₀H₂₂O₂
Molecular Weight	174.28 g/mol
Exact Mass	174.16
IUPAC Name	2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol
SMILES	CC(C)(C)CCOC(C)(C)CO
InChI	InChI=1S/C10H22O2/c1-9(2,3)6-7-12-10(4,5)8-11/h11H,6-8H2,1-5H3
InChIKey	YZHFAALCWPPOKS-UHFFFAOYSA-N
XLogP	2.21
TPSA	29.46 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	4
Heavy Atoms	12
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	174.28
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol?

The IUPAC name of 2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol (CID 123870350) is 2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol.

What is the SMILES notation for 2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol?

The canonical SMILES for 2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol is CC(C)(C)CCOC(C)(C)CO.

What is the InChIKey of 2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol?

The InChIKey is YZHFAALCWPPOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-9(2,3)6-7-12-10(4,5)8-11/h11H,6-8H2,1-5H3.

What are the key properties of 2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol?

2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol has a molecular weight of 174.28 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-(3,3-dimethylbutoxy)-2-methylpropan-1-ol is sourced from PubChem (CID 123870350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 123870350 — identifiers, structure, computed properties (public domain)

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