1-propan-2-yloxypropan-1-ol

C6H14O2 — CID 22319924

IUPAC1-propan-2-yloxypropan-1-ol
SMILESCCC(O)OC(C)C
InChIInChI=1S/C6H14O2/c1-4-6(7)8-5(2)3/h5-7H,4H2,1-3H3
InChIKeyHBNLGCNVBJCBAQ-UHFFFAOYSA-N
MW118.18 g/mol
LogP1.14
Rot. Bonds3

About 1-propan-2-yloxypropan-1-ol

1-propan-2-yloxypropan-1-ol (PubChem CID 22319924) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is 1-propan-2-yloxypropan-1-ol.

Molecular Properties

Compound Name1-propan-2-yloxypropan-1-ol
PubChem CID22319924
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Name1-propan-2-yloxypropan-1-ol
SMILESCCC(O)OC(C)C
InChIInChI=1S/C6H14O2/c1-4-6(7)8-5(2)3/h5-7H,4H2,1-3H3
InChIKeyHBNLGCNVBJCBAQ-UHFFFAOYSA-N
XLogP1.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Butoxypropan-1-ol
CID 3032854
Ethoxypropanol
CID 93269
1,1'-Oxydi(propan-1-ol)
CID 6537503
Propylene glycol methyl ether
CID 3032390
1-(3-Methoxypropoxy)propan-1-ol
CID 22833331
1-tert-Butoxypropan-1-ol
CID 3036818
Isopropoxymethanol
CID 91833
1-Ethoxyethanol
CID 10129898
1-Propoxypropan-1-ol
CID 12087100
1,3-Diethoxypropanol
CID 17822515
1-Butoxyethan-1-ol
CID 17869655
2-(2'-Oxypropoxy)butane
CID 17885851

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxypropan-1-ol?
The IUPAC name of 1-propan-2-yloxypropan-1-ol (CID 22319924) is 1-propan-2-yloxypropan-1-ol.
What is the SMILES notation for 1-propan-2-yloxypropan-1-ol?
The canonical SMILES for 1-propan-2-yloxypropan-1-ol is CCC(O)OC(C)C.
What is the InChIKey of 1-propan-2-yloxypropan-1-ol?
The InChIKey is HBNLGCNVBJCBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2/c1-4-6(7)8-5(2)3/h5-7H,4H2,1-3H3.
What are the key properties of 1-propan-2-yloxypropan-1-ol?
1-propan-2-yloxypropan-1-ol has a molecular weight of 118.18 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxypropan-1-ol is sourced from PubChem (CID 22319924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).