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

C9H20O2 — CID 66225611

IUPAC1-(3,3-dimethylbutoxy)propan-2-ol
SMILESCC(O)COCCC(C)(C)C
InChIInChI=1S/C9H20O2/c1-8(10)7-11-6-5-9(2,3)4/h8,10H,5-7H2,1-4H3
InChIKeyGWYXCBRLKOMCDO-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.82
Rot. Bonds4

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

1-(3,3-dimethylbutoxy)propan-2-ol (PubChem CID 66225611) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-(3,3-dimethylbutoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3,3-dimethylbutoxy)propan-2-ol
PubChem CID66225611
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1-(3,3-dimethylbutoxy)propan-2-ol
SMILESCC(O)COCCC(C)(C)C
InChIInChI=1S/C9H20O2/c1-8(10)7-11-6-5-9(2,3)4/h8,10H,5-7H2,1-4H3
InChIKeyGWYXCBRLKOMCDO-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane
CID 167646530
5-(3,3-dimethylbutoxy)pentan-2-ol
CID 66227654
1-[2-(2-hydroxypropoxy)ethoxy]-2-methylpropan-2-ol
CID 123505262
(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
4-(3,3-dimethylbutoxymethyl)-2,2,6,6-tetramethylheptane
CID 169317578
3-(2-hydroxypropoxy)propane-1,1-diol
CID 88599165
1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 153439578
1-(2-aminoethoxy)propan-2-ol;hydrochloride
CID 86645518
(2S)-1-butoxypropan-2-ol
CID 54289557
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580
2-(2-hydroxyethoxy)ethanol;1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 161004910

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutoxy)propan-2-ol?
The IUPAC name of 1-(3,3-dimethylbutoxy)propan-2-ol (CID 66225611) is 1-(3,3-dimethylbutoxy)propan-2-ol.
What is the SMILES notation for 1-(3,3-dimethylbutoxy)propan-2-ol?
The canonical SMILES for 1-(3,3-dimethylbutoxy)propan-2-ol is CC(O)COCCC(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutoxy)propan-2-ol?
The InChIKey is GWYXCBRLKOMCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-8(10)7-11-6-5-9(2,3)4/h8,10H,5-7H2,1-4H3.
What are the key properties of 1-(3,3-dimethylbutoxy)propan-2-ol?
1-(3,3-dimethylbutoxy)propan-2-ol has a molecular weight of 160.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutoxy)propan-2-ol is sourced from PubChem (CID 66225611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).