1-(1-propylcyclobutyl)oxypropan-2-ol

C10H20O2 — CID 142712449

IUPAC1-(1-propylcyclobutyl)oxypropan-2-ol
SMILESCCCC1(OCC(C)O)CCC1
InChIInChI=1S/C10H20O2/c1-3-5-10(6-4-7-10)12-8-9(2)11/h9,11H,3-8H2,1-2H3
InChIKeyHWTWTBOWBSHTBL-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.11
Rot. Bonds5

About 1-(1-propylcyclobutyl)oxypropan-2-ol

1-(1-propylcyclobutyl)oxypropan-2-ol (PubChem CID 142712449) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(1-propylcyclobutyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(1-propylcyclobutyl)oxypropan-2-ol
PubChem CID142712449
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-(1-propylcyclobutyl)oxypropan-2-ol
SMILESCCCC1(OCC(C)O)CCC1
InChIInChI=1S/C10H20O2/c1-3-5-10(6-4-7-10)12-8-9(2)11/h9,11H,3-8H2,1-2H3
InChIKeyHWTWTBOWBSHTBL-UHFFFAOYSA-N
XLogP2.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propylcyclobutyl)oxypropan-2-ol?
The IUPAC name of 1-(1-propylcyclobutyl)oxypropan-2-ol (CID 142712449) is 1-(1-propylcyclobutyl)oxypropan-2-ol.
What is the SMILES notation for 1-(1-propylcyclobutyl)oxypropan-2-ol?
The canonical SMILES for 1-(1-propylcyclobutyl)oxypropan-2-ol is CCCC1(OCC(C)O)CCC1.
What is the InChIKey of 1-(1-propylcyclobutyl)oxypropan-2-ol?
The InChIKey is HWTWTBOWBSHTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-5-10(6-4-7-10)12-8-9(2)11/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-(1-propylcyclobutyl)oxypropan-2-ol?
1-(1-propylcyclobutyl)oxypropan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylcyclobutyl)oxypropan-2-ol is sourced from PubChem (CID 142712449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).