2-[2-[1-(2-methylbutyl)cyclopropyl]oxypropoxy]propan-1-ol

C14H28O3 — CID 142712318

IUPAC2-[2-[1-(2-methylbutyl)cyclopropyl]oxypropoxy]propan-1-ol
SMILESCCC(C)CC1(OC(C)COC(C)CO)CC1
InChIInChI=1S/C14H28O3/c1-5-11(2)8-14(6-7-14)17-13(4)10-16-12(3)9-15/h11-13,15H,5-10H2,1-4H3
InChIKeyXGZBRMSCQOSVBA-UHFFFAOYSA-N
MW244.37 g/mol
LogP2.76
Rot. Bonds9

About 2-[2-[1-(2-methylbutyl)cyclopropyl]oxypropoxy]propan-1-ol

2-[2-[1-(2-methylbutyl)cyclopropyl]oxypropoxy]propan-1-ol (PubChem CID 142712318) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 2-[2-[1-(2-methylbutyl)cyclopropyl]oxypropoxy]propan-1-ol.

Molecular Properties

Compound Name2-[2-[1-(2-methylbutyl)cyclopropyl]oxypropoxy]propan-1-ol
PubChem CID142712318
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name2-[2-[1-(2-methylbutyl)cyclopropyl]oxypropoxy]propan-1-ol
SMILESCCC(C)CC1(OC(C)COC(C)CO)CC1
InChIInChI=1S/C14H28O3/c1-5-11(2)8-14(6-7-14)17-13(4)10-16-12(3)9-15/h11-13,15H,5-10H2,1-4H3
InChIKeyXGZBRMSCQOSVBA-UHFFFAOYSA-N
XLogP2.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-methylbutyl)cyclopropyl]oxypropoxy]propan-1-ol?
The IUPAC name of 2-[2-[1-(2-methylbutyl)cyclopropyl]oxypropoxy]propan-1-ol (CID 142712318) is 2-[2-[1-(2-methylbutyl)cyclopropyl]oxypropoxy]propan-1-ol.
What is the SMILES notation for 2-[2-[1-(2-methylbutyl)cyclopropyl]oxypropoxy]propan-1-ol?
The canonical SMILES for 2-[2-[1-(2-methylbutyl)cyclopropyl]oxypropoxy]propan-1-ol is CCC(C)CC1(OC(C)COC(C)CO)CC1.
What is the InChIKey of 2-[2-[1-(2-methylbutyl)cyclopropyl]oxypropoxy]propan-1-ol?
The InChIKey is XGZBRMSCQOSVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-5-11(2)8-14(6-7-14)17-13(4)10-16-12(3)9-15/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 2-[2-[1-(2-methylbutyl)cyclopropyl]oxypropoxy]propan-1-ol?
2-[2-[1-(2-methylbutyl)cyclopropyl]oxypropoxy]propan-1-ol has a molecular weight of 244.37 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-methylbutyl)cyclopropyl]oxypropoxy]propan-1-ol is sourced from PubChem (CID 142712318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).