4-butyloxan-4-ol

C9H18O2 — CID 65145508

IUPAC4-butyloxan-4-ol
SMILESCCCCC1(O)CCOCC1
InChIInChI=1S/C9H18O2/c1-2-3-4-9(10)5-7-11-8-6-9/h10H,2-8H2,1H3
InChIKeyDUJHTSYFVUIFBP-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.72
Rot. Bonds3

About 4-butyloxan-4-ol

4-butyloxan-4-ol (PubChem CID 65145508) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-butyloxan-4-ol.

Molecular Properties

Compound Name4-butyloxan-4-ol
PubChem CID65145508
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name4-butyloxan-4-ol
SMILESCCCCC1(O)CCOCC1
InChIInChI=1S/C9H18O2/c1-2-3-4-9(10)5-7-11-8-6-9/h10H,2-8H2,1H3
InChIKeyDUJHTSYFVUIFBP-UHFFFAOYSA-N
XLogP1.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-pentyloxan-4-ol
CID 65145510
4-dodecyloxepan-4-ol
CID 65151403
1-heptadecylcyclopropan-1-ol
CID 2802251
4-butyl-4-ethyloxane
CID 89395620
3-pentyloxan-3-ol
CID 65148784
4-butyl-1-methylpiperidin-4-ol;ethane
CID 171492369
4-(bromomethyl)-4-butyloxane
CID 66048650
4-(propoxymethyl)oxan-4-ol
CID 79568343
3-octyloxan-3-ol
CID 65148950
4-butyloxane-4-carbonitrile
CID 65392922
(4-octyloxan-4-yl)methanol
CID 66024090
1-octadecylcyclohexan-1-ol
CID 67204292

Frequently Asked Questions

What is the IUPAC name of 4-butyloxan-4-ol?
The IUPAC name of 4-butyloxan-4-ol (CID 65145508) is 4-butyloxan-4-ol.
What is the SMILES notation for 4-butyloxan-4-ol?
The canonical SMILES for 4-butyloxan-4-ol is CCCCC1(O)CCOCC1.
What is the InChIKey of 4-butyloxan-4-ol?
The InChIKey is DUJHTSYFVUIFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-2-3-4-9(10)5-7-11-8-6-9/h10H,2-8H2,1H3.
What are the key properties of 4-butyloxan-4-ol?
4-butyloxan-4-ol has a molecular weight of 158.24 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyloxan-4-ol is sourced from PubChem (CID 65145508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).