5-(3,3-dimethylbutoxy)pentan-2-ol

C11H24O2 — CID 66227654

IUPAC5-(3,3-dimethylbutoxy)pentan-2-ol
SMILESCC(O)CCCOCCC(C)(C)C
InChIInChI=1S/C11H24O2/c1-10(12)6-5-8-13-9-7-11(2,3)4/h10,12H,5-9H2,1-4H3
InChIKeyRKPQNCOZUGWTON-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.60
Rot. Bonds6

About 5-(3,3-dimethylbutoxy)pentan-2-ol

5-(3,3-dimethylbutoxy)pentan-2-ol (PubChem CID 66227654) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 5-(3,3-dimethylbutoxy)pentan-2-ol.

Molecular Properties

Compound Name5-(3,3-dimethylbutoxy)pentan-2-ol
PubChem CID66227654
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name5-(3,3-dimethylbutoxy)pentan-2-ol
SMILESCC(O)CCCOCCC(C)(C)C
InChIInChI=1S/C11H24O2/c1-10(12)6-5-8-13-9-7-11(2,3)4/h10,12H,5-9H2,1-4H3
InChIKeyRKPQNCOZUGWTON-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

5-(3,3,3-trifluoropropoxy)pentan-2-ol
CID 82958309
1-(3,3-dimethylbutoxy)propan-2-ol
CID 66225611
5-(2-propoxyethoxy)pentan-2-ol
CID 63686964
1-(3,3-dimethylbutoxy)-17-methyloctadecane;1-(4,4-dimethylpentoxy)-15-methylhexadecane
CID 161487633
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
4-(1,5-dibutoxy-3-methylpentan-3-yl)oxybutan-2-ol
CID 175058110
1-[2-[3-(2,2-dimethylpropoxy)propoxy]ethoxy]-3,3-dimethylbutane
CID 176614157
22-butoxydocosan-2-ol
CID 88608244
3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane
CID 167646530
1-(3,3-dimethylbutoxy)-3,7,11,15-tetramethyloctadecane
CID 126578390
6-[2-(2-methylpropoxy)ethoxy]hexan-2-ol
CID 106448667
1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 131972620

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutoxy)pentan-2-ol?
The IUPAC name of 5-(3,3-dimethylbutoxy)pentan-2-ol (CID 66227654) is 5-(3,3-dimethylbutoxy)pentan-2-ol.
What is the SMILES notation for 5-(3,3-dimethylbutoxy)pentan-2-ol?
The canonical SMILES for 5-(3,3-dimethylbutoxy)pentan-2-ol is CC(O)CCCOCCC(C)(C)C.
What is the InChIKey of 5-(3,3-dimethylbutoxy)pentan-2-ol?
The InChIKey is RKPQNCOZUGWTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-10(12)6-5-8-13-9-7-11(2,3)4/h10,12H,5-9H2,1-4H3.
What are the key properties of 5-(3,3-dimethylbutoxy)pentan-2-ol?
5-(3,3-dimethylbutoxy)pentan-2-ol has a molecular weight of 188.31 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutoxy)pentan-2-ol is sourced from PubChem (CID 66227654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).