4-(oxetan-2-yl)hexan-1-ol

C9H18O2 — CID 68993570

IUPAC4-(oxetan-2-yl)hexan-1-ol
SMILESCCC(CCCO)C1CCO1
InChIInChI=1S/C9H18O2/c1-2-8(4-3-6-10)9-5-7-11-9/h8-10H,2-7H2,1H3
InChIKeyBEXZSCIFUZMOCX-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.57
Rot. Bonds5

About 4-(oxetan-2-yl)hexan-1-ol

4-(oxetan-2-yl)hexan-1-ol (PubChem CID 68993570) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-(oxetan-2-yl)hexan-1-ol.

Molecular Properties

Compound Name4-(oxetan-2-yl)hexan-1-ol
PubChem CID68993570
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name4-(oxetan-2-yl)hexan-1-ol
SMILESCCC(CCCO)C1CCO1
InChIInChI=1S/C9H18O2/c1-2-8(4-3-6-10)9-5-7-11-9/h8-10H,2-7H2,1H3
InChIKeyBEXZSCIFUZMOCX-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(oxetan-2-yl)hexan-1-ol?
The IUPAC name of 4-(oxetan-2-yl)hexan-1-ol (CID 68993570) is 4-(oxetan-2-yl)hexan-1-ol.
What is the SMILES notation for 4-(oxetan-2-yl)hexan-1-ol?
The canonical SMILES for 4-(oxetan-2-yl)hexan-1-ol is CCC(CCCO)C1CCO1.
What is the InChIKey of 4-(oxetan-2-yl)hexan-1-ol?
The InChIKey is BEXZSCIFUZMOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-2-8(4-3-6-10)9-5-7-11-9/h8-10H,2-7H2,1H3.
What are the key properties of 4-(oxetan-2-yl)hexan-1-ol?
4-(oxetan-2-yl)hexan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxetan-2-yl)hexan-1-ol is sourced from PubChem (CID 68993570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).