6-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]-2H-pyran

C19H32O3 — CID 130239976

IUPAC6-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]-2H-pyran
SMILESCCC(C)C1=CC=C(OC(C)OCCC2CCCCC2)CO1
InChIInChI=1S/C19H32O3/c1-4-15(2)19-11-10-18(14-21-19)22-16(3)20-13-12-17-8-6-5-7-9-17/h10-11,15-17H,4-9,12-14H2,1-3H3
InChIKeyGDYIYDVDNJENKM-UHFFFAOYSA-N
MW308.46 g/mol
LogP5.18
Rot. Bonds8

About 6-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]-2H-pyran

6-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]-2H-pyran (PubChem CID 130239976) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 6-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]-2H-pyran.

Molecular Properties

Compound Name6-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]-2H-pyran
PubChem CID130239976
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name6-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]-2H-pyran
SMILESCCC(C)C1=CC=C(OC(C)OCCC2CCCCC2)CO1
InChIInChI=1S/C19H32O3/c1-4-15(2)19-11-10-18(14-21-19)22-16(3)20-13-12-17-8-6-5-7-9-17/h10-11,15-17H,4-9,12-14H2,1-3H3
InChIKeyGDYIYDVDNJENKM-UHFFFAOYSA-N
XLogP5.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.46
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]-2H-pyran?
The IUPAC name of 6-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]-2H-pyran (CID 130239976) is 6-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]-2H-pyran.
What is the SMILES notation for 6-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]-2H-pyran?
The canonical SMILES for 6-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]-2H-pyran is CCC(C)C1=CC=C(OC(C)OCCC2CCCCC2)CO1.
What is the InChIKey of 6-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]-2H-pyran?
The InChIKey is GDYIYDVDNJENKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3/c1-4-15(2)19-11-10-18(14-21-19)22-16(3)20-13-12-17-8-6-5-7-9-17/h10-11,15-17H,4-9,12-14H2,1-3H3.
What are the key properties of 6-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]-2H-pyran?
6-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]-2H-pyran has a molecular weight of 308.46 g/mol, XLogP of 5.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]-2H-pyran is sourced from PubChem (CID 130239976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).