2-[2-[2-(3-methylbutoxy)propoxy]propoxy]propan-1-ol

C14H30O4 — CID 87594650

IUPAC2-[2-[2-(3-methylbutoxy)propoxy]propoxy]propan-1-ol
SMILESCC(C)CCOC(C)COC(C)COC(C)CO
InChIInChI=1S/C14H30O4/c1-11(2)6-7-16-13(4)9-18-14(5)10-17-12(3)8-15/h11-15H,6-10H2,1-5H3
InChIKeyLQPRGDBTQROLLJ-UHFFFAOYSA-N
MW262.39 g/mol
LogP2.24
Rot. Bonds11

About 2-[2-[2-(3-methylbutoxy)propoxy]propoxy]propan-1-ol

2-[2-[2-(3-methylbutoxy)propoxy]propoxy]propan-1-ol (PubChem CID 87594650) has the molecular formula C14H30O4 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-[2-[2-(3-methylbutoxy)propoxy]propoxy]propan-1-ol.

Molecular Properties

Compound Name2-[2-[2-(3-methylbutoxy)propoxy]propoxy]propan-1-ol
PubChem CID87594650
Molecular FormulaC14H30O4
Molecular Weight262.39 g/mol
Exact Mass262.21
IUPAC Name2-[2-[2-(3-methylbutoxy)propoxy]propoxy]propan-1-ol
SMILESCC(C)CCOC(C)COC(C)COC(C)CO
InChIInChI=1S/C14H30O4/c1-11(2)6-7-16-13(4)9-18-14(5)10-17-12(3)8-15/h11-15H,6-10H2,1-5H3
InChIKeyLQPRGDBTQROLLJ-UHFFFAOYSA-N
XLogP2.24
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(6-methylheptoxy)propoxy]propan-1-ol
CID 154124865
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-3-methylbutane
CID 140766822
2-[2-[2-[2-(2-propoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 87591136
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 88651680
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 87903083
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 87899211
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 52944184
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 129258007
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 22051694
2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol
CID 11234638

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-methylbutoxy)propoxy]propoxy]propan-1-ol?
The IUPAC name of 2-[2-[2-(3-methylbutoxy)propoxy]propoxy]propan-1-ol (CID 87594650) is 2-[2-[2-(3-methylbutoxy)propoxy]propoxy]propan-1-ol.
What is the SMILES notation for 2-[2-[2-(3-methylbutoxy)propoxy]propoxy]propan-1-ol?
The canonical SMILES for 2-[2-[2-(3-methylbutoxy)propoxy]propoxy]propan-1-ol is CC(C)CCOC(C)COC(C)COC(C)CO.
What is the InChIKey of 2-[2-[2-(3-methylbutoxy)propoxy]propoxy]propan-1-ol?
The InChIKey is LQPRGDBTQROLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4/c1-11(2)6-7-16-13(4)9-18-14(5)10-17-12(3)8-15/h11-15H,6-10H2,1-5H3.
What are the key properties of 2-[2-[2-(3-methylbutoxy)propoxy]propoxy]propan-1-ol?
2-[2-[2-(3-methylbutoxy)propoxy]propoxy]propan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 2.24, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-methylbutoxy)propoxy]propoxy]propan-1-ol is sourced from PubChem (CID 87594650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).