3,3-dimethyl-1-propoxybutan-2-ol

C9H20O2 — CID 20658603

IUPAC3,3-dimethyl-1-propoxybutan-2-ol
SMILESCCCOCC(O)C(C)(C)C
InChIInChI=1S/C9H20O2/c1-5-6-11-7-8(10)9(2,3)4/h8,10H,5-7H2,1-4H3
InChIKeyFYHFQSJUFHRXLG-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.82
Rot. Bonds4

About 3,3-dimethyl-1-propoxybutan-2-ol

3,3-dimethyl-1-propoxybutan-2-ol (PubChem CID 20658603) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 3,3-dimethyl-1-propoxybutan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-propoxybutan-2-ol
PubChem CID20658603
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name3,3-dimethyl-1-propoxybutan-2-ol
SMILESCCCOCC(O)C(C)(C)C
InChIInChI=1S/C9H20O2/c1-5-6-11-7-8(10)9(2,3)4/h8,10H,5-7H2,1-4H3
InChIKeyFYHFQSJUFHRXLG-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-methylpropoxy)ethoxy]butan-2-ol
CID 106448661
3-(dimethylamino)-3-methyl-1-propoxybutan-2-ol
CID 79567325
1-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutan-2-ol
CID 140523652
3-(diethylamino)-3-methyl-1-propoxybutan-2-ol
CID 79567595
3-(diethylamino)-3-methyl-1-propoxypentan-2-ol
CID 79567055
3-ethoxy-4,4-dimethyl-1-propoxypentan-2-ol
CID 116713479
1-(2-hydroxy-3,3-dimethylbutyl)peroxy-3,3-dimethylbutan-2-ol
CID 57136034
1-ethoxy-3-(hydroxymethyl)-3-methoxy-5-propoxypentane-2,4-diol
CID 90731721
1-propoxy-3-sulfanylpropan-2-ol
CID 21487431
3-ethyl-1-propoxy-3-pyrrolidin-1-ylpentan-2-ol
CID 79573999
1-aminooxy-3,3-dimethylbutan-2-ol
CID 21111532
(3R)-2,2-dimethylhexan-3-ol
CID 7004855

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-propoxybutan-2-ol?
The IUPAC name of 3,3-dimethyl-1-propoxybutan-2-ol (CID 20658603) is 3,3-dimethyl-1-propoxybutan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-propoxybutan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-propoxybutan-2-ol is CCCOCC(O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-propoxybutan-2-ol?
The InChIKey is FYHFQSJUFHRXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-5-6-11-7-8(10)9(2,3)4/h8,10H,5-7H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-propoxybutan-2-ol?
3,3-dimethyl-1-propoxybutan-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 3,3-dimethyl-1-propoxybutan-2-ol is sourced from PubChem (CID 20658603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).