1-(2,3-dimethylpentan-2-yloxy)propan-2-ol

C10H22O2 — CID 142712435

IUPAC1-(2,3-dimethylpentan-2-yloxy)propan-2-ol
SMILESCCC(C)C(C)(C)OCC(C)O
InChIInChI=1S/C10H22O2/c1-6-8(2)10(4,5)12-7-9(3)11/h8-9,11H,6-7H2,1-5H3
InChIKeyXDRBHNDICWCDKK-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.21
Rot. Bonds5

About 1-(2,3-dimethylpentan-2-yloxy)propan-2-ol

1-(2,3-dimethylpentan-2-yloxy)propan-2-ol (PubChem CID 142712435) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 1-(2,3-dimethylpentan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dimethylpentan-2-yloxy)propan-2-ol
PubChem CID142712435
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name1-(2,3-dimethylpentan-2-yloxy)propan-2-ol
SMILESCCC(C)C(C)(C)OCC(C)O
InChIInChI=1S/C10H22O2/c1-6-8(2)10(4,5)12-7-9(3)11/h8-9,11H,6-7H2,1-5H3
InChIKeyXDRBHNDICWCDKK-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3,5-trimethylheptan-2-yloxy)propan-2-ol
CID 142712581
2,3-dimethylpentan-2-yloxyboronic acid
CID 54520879
2-hydroxypropyl 2-hydroxy-2,3-dimethylpentanoate
CID 90020250
2,3-dimethylpentan-2-yl hypofluorite
CID 140594719
1-(2,3-dimethylpentan-2-yloxy)-2,2,4-trimethylpentan-1-ol
CID 123209317
1-(2,5-dimethylhexan-2-yloxy)propan-2-ol
CID 142712433
5-chloro-1-(2,3-dimethylpentan-2-yloxy)-2,2-dimethylhexane
CID 175625445
1-(13-decylhexacosan-13-yloxy)propan-2-ol
CID 118040395
3-(methylamino)-1-(2,3,5-trimethylhexan-2-yloxy)butan-2-ol
CID 123789565
[2,3-dimethyl-3-(2-methylbutoxy)butyl] 3-methylpentan-3-yl carbonate
CID 130221024
(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
1-(1,1,3,3,3-pentafluoropropoxy)propan-2-ol
CID 175353311

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpentan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(2,3-dimethylpentan-2-yloxy)propan-2-ol (CID 142712435) is 1-(2,3-dimethylpentan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(2,3-dimethylpentan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(2,3-dimethylpentan-2-yloxy)propan-2-ol is CCC(C)C(C)(C)OCC(C)O.
What is the InChIKey of 1-(2,3-dimethylpentan-2-yloxy)propan-2-ol?
The InChIKey is XDRBHNDICWCDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-6-8(2)10(4,5)12-7-9(3)11/h8-9,11H,6-7H2,1-5H3.
What are the key properties of 1-(2,3-dimethylpentan-2-yloxy)propan-2-ol?
1-(2,3-dimethylpentan-2-yloxy)propan-2-ol has a molecular weight of 174.28 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpentan-2-yloxy)propan-2-ol is sourced from PubChem (CID 142712435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).