6-propyl-3-(5-propyloxan-2-yl)-3,4-dihydro-2H-pyran

C16H28O2 — CID 118583674

IUPAC6-propyl-3-(5-propyloxan-2-yl)-3,4-dihydro-2H-pyran
SMILESCCCC1=CCC(C2CCC(CCC)CO2)CO1
InChIInChI=1S/C16H28O2/c1-3-5-13-7-10-16(18-11-13)14-8-9-15(6-4-2)17-12-14/h9,13-14,16H,3-8,10-12H2,1-2H3
InChIKeyGKGRRHZWRQTMKS-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.30
Rot. Bonds5

About 6-propyl-3-(5-propyloxan-2-yl)-3,4-dihydro-2H-pyran

6-propyl-3-(5-propyloxan-2-yl)-3,4-dihydro-2H-pyran (PubChem CID 118583674) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 6-propyl-3-(5-propyloxan-2-yl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-propyl-3-(5-propyloxan-2-yl)-3,4-dihydro-2H-pyran
PubChem CID118583674
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name6-propyl-3-(5-propyloxan-2-yl)-3,4-dihydro-2H-pyran
SMILESCCCC1=CCC(C2CCC(CCC)CO2)CO1
InChIInChI=1S/C16H28O2/c1-3-5-13-7-10-16(18-11-13)14-8-9-15(6-4-2)17-12-14/h9,13-14,16H,3-8,10-12H2,1-2H3
InChIKeyGKGRRHZWRQTMKS-UHFFFAOYSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-propyl-3-(5-propyloxan-2-yl)-3,4-dihydro-2H-pyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-3,4-dihydro-2H-pyran
CID 118583717
3-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-6-propyl-3,4-dihydro-2H-pyran
CID 118583726
[4-[2-[4-(5-propyloxan-2-yl)cyclohexyl]ethyl]phenyl]methanol
CID 70829402
(2R,5S)-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]oxane
CID 102407968
[4-(5-propyloxan-2-yl)cyclohexyl]boronic acid
CID 140501060
2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane
CID 58620720
2-[4-[3-chloro-2-fluoro-4-(oxiran-2-yl)phenyl]cyclohex-3-en-1-yl]-5-propyloxane
CID 89077083
2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyloxane
CID 20599558
2,5-dipropyloxane
CID 118909754
2-(4-methylcyclohexyl)-5-[2-(4-methylphenyl)ethyl]oxane
CID 143210127
2-[2,3-difluoro-4-[4-(5-propyloxan-2-yl)cyclohexyl]phenyl]-5-propylpyrimidine
CID 67968694
6-propyl-3-[(2,4,5-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran
CID 118583432

Frequently Asked Questions

What is the IUPAC name of 6-propyl-3-(5-propyloxan-2-yl)-3,4-dihydro-2H-pyran?
The IUPAC name of 6-propyl-3-(5-propyloxan-2-yl)-3,4-dihydro-2H-pyran (CID 118583674) is 6-propyl-3-(5-propyloxan-2-yl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-propyl-3-(5-propyloxan-2-yl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-propyl-3-(5-propyloxan-2-yl)-3,4-dihydro-2H-pyran is CCCC1=CCC(C2CCC(CCC)CO2)CO1.
What is the InChIKey of 6-propyl-3-(5-propyloxan-2-yl)-3,4-dihydro-2H-pyran?
The InChIKey is GKGRRHZWRQTMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-3-5-13-7-10-16(18-11-13)14-8-9-15(6-4-2)17-12-14/h9,13-14,16H,3-8,10-12H2,1-2H3.
What are the key properties of 6-propyl-3-(5-propyloxan-2-yl)-3,4-dihydro-2H-pyran?
6-propyl-3-(5-propyloxan-2-yl)-3,4-dihydro-2H-pyran has a molecular weight of 252.40 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-3-(5-propyloxan-2-yl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118583674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).