4-pentyloxan-4-ol

C10H20O2 — CID 65145510

IUPAC4-pentyloxan-4-ol
SMILESCCCCCC1(O)CCOCC1
InChIInChI=1S/C10H20O2/c1-2-3-4-5-10(11)6-8-12-9-7-10/h11H,2-9H2,1H3
InChIKeyNCRAARPAPMEOFK-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.11
Rot. Bonds4

About 4-pentyloxan-4-ol

4-pentyloxan-4-ol (PubChem CID 65145510) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-pentyloxan-4-ol.

Molecular Properties

Compound Name4-pentyloxan-4-ol
PubChem CID65145510
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4-pentyloxan-4-ol
SMILESCCCCCC1(O)CCOCC1
InChIInChI=1S/C10H20O2/c1-2-3-4-5-10(11)6-8-12-9-7-10/h11H,2-9H2,1H3
InChIKeyNCRAARPAPMEOFK-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

4-butyloxan-4-ol
CID 65145508
4-dodecyloxepan-4-ol
CID 65151403
1-heptadecylcyclopropan-1-ol
CID 2802251
3-pentyloxan-3-ol
CID 65148784
1-octadecylcyclohexan-1-ol
CID 67204292
1-heptylcycloheptan-1-ol
CID 57057960
(4-octyloxan-4-yl)methanol
CID 66024090
3-octyloxan-3-ol
CID 65148950
4-methyl-1-pentylcyclohexan-1-ol
CID 65147316
4-heptyloxan-4-amine
CID 63220508
8-octylspiro[4.5]decan-8-ol
CID 114819460
4-decyl-1-ethylpiperidin-4-ol
CID 65146691

Frequently Asked Questions

What is the IUPAC name of 4-pentyloxan-4-ol?
The IUPAC name of 4-pentyloxan-4-ol (CID 65145510) is 4-pentyloxan-4-ol.
What is the SMILES notation for 4-pentyloxan-4-ol?
The canonical SMILES for 4-pentyloxan-4-ol is CCCCCC1(O)CCOCC1.
What is the InChIKey of 4-pentyloxan-4-ol?
The InChIKey is NCRAARPAPMEOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-3-4-5-10(11)6-8-12-9-7-10/h11H,2-9H2,1H3.
What are the key properties of 4-pentyloxan-4-ol?
4-pentyloxan-4-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 4-pentyloxan-4-ol is sourced from PubChem (CID 65145510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).