3-pentyloxan-3-ol

C10H20O2 — CID 65148784

IUPAC3-pentyloxan-3-ol
SMILESCCCCCC1(O)CCCOC1
InChIInChI=1S/C10H20O2/c1-2-3-4-6-10(11)7-5-8-12-9-10/h11H,2-9H2,1H3
InChIKeyGDGNFKQHVAQWEK-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.11
Rot. Bonds4

About 3-pentyloxan-3-ol

3-pentyloxan-3-ol (PubChem CID 65148784) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-pentyloxan-3-ol.

Molecular Properties

Compound Name3-pentyloxan-3-ol
PubChem CID65148784
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-pentyloxan-3-ol
SMILESCCCCCC1(O)CCCOC1
InChIInChI=1S/C10H20O2/c1-2-3-4-6-10(11)7-5-8-12-9-10/h11H,2-9H2,1H3
InChIKeyGDGNFKQHVAQWEK-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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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Related Compounds

3-octyloxan-3-ol
CID 65148950
4-dodecyloxepan-4-ol
CID 65151403
3,3-dipentyloxane
CID 174267507
4-pentyloxan-4-ol
CID 65145510
3-(2-aminoethyl)oxan-3-ol
CID 79123930
1-heptylcycloheptan-1-ol
CID 57057960
1-octadecylcyclohexan-1-ol
CID 67204292
(3-octyloxan-3-yl)methanol
CID 66058603
ethyl 3-(3-hydroxyoxan-3-yl)propanoate
CID 66322542
1-heptadecylcyclopropan-1-ol
CID 2802251
3-(bromomethyl)-3-hexyloxane
CID 66041468
4-butyloxan-4-ol
CID 65145508

Frequently Asked Questions

What is the IUPAC name of 3-pentyloxan-3-ol?
The IUPAC name of 3-pentyloxan-3-ol (CID 65148784) is 3-pentyloxan-3-ol.
What is the SMILES notation for 3-pentyloxan-3-ol?
The canonical SMILES for 3-pentyloxan-3-ol is CCCCCC1(O)CCCOC1.
What is the InChIKey of 3-pentyloxan-3-ol?
The InChIKey is GDGNFKQHVAQWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-3-4-6-10(11)7-5-8-12-9-10/h11H,2-9H2,1H3.
What are the key properties of 3-pentyloxan-3-ol?
3-pentyloxan-3-ol has a molecular weight of 172.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyloxan-3-ol is sourced from PubChem (CID 65148784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).