2-pentyloxan-2-ol

C10H20O2 — CID 10035063

IUPAC2-pentyloxan-2-ol
SMILESCCCCCC1(O)CCCCO1
InChIInChI=1S/C10H20O2/c1-2-3-4-7-10(11)8-5-6-9-12-10/h11H,2-9H2,1H3
InChIKeyFGEKLMIVIVFUMA-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.46
Rot. Bonds4

About 2-pentyloxan-2-ol

2-pentyloxan-2-ol (PubChem CID 10035063) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-pentyloxan-2-ol.

Molecular Properties

Compound Name2-pentyloxan-2-ol
PubChem CID10035063
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-pentyloxan-2-ol
SMILESCCCCCC1(O)CCCCO1
InChIInChI=1S/C10H20O2/c1-2-3-4-7-10(11)8-5-6-9-12-10/h11H,2-9H2,1H3
InChIKeyFGEKLMIVIVFUMA-UHFFFAOYSA-N
XLogP2.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pentyloxan-2-ol?
The IUPAC name of 2-pentyloxan-2-ol (CID 10035063) is 2-pentyloxan-2-ol.
What is the SMILES notation for 2-pentyloxan-2-ol?
The canonical SMILES for 2-pentyloxan-2-ol is CCCCCC1(O)CCCCO1.
What is the InChIKey of 2-pentyloxan-2-ol?
The InChIKey is FGEKLMIVIVFUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-3-4-7-10(11)8-5-6-9-12-10/h11H,2-9H2,1H3.
What are the key properties of 2-pentyloxan-2-ol?
2-pentyloxan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyloxan-2-ol is sourced from PubChem (CID 10035063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).