3-Methyl-6-propyltetrahydropyran

C9H18O — CID 129806384

IUPAC5-methyl-2-propyloxane
SMILESCCCC1CCC(CO1)C
InChIInChI=1S/C9H18O/c1-3-4-9-6-5-8(2)7-10-9/h8-9H,3-7H2,1-2H3
InChIKeyXAODLWZPQNSNFL-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.70
Rot. Bonds2

About 3-Methyl-6-propyltetrahydropyran

3-Methyl-6-propyltetrahydropyran (PubChem CID 129806384) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 5-methyl-2-propyloxane.

Molecular Properties

Compound Name3-Methyl-6-propyltetrahydropyran
PubChem CID129806384
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name5-methyl-2-propyloxane
SMILESCCCC1CCC(CO1)C
InChIInChI=1S/C9H18O/c1-3-4-9-6-5-8(2)7-10-9/h8-9H,3-7H2,1-2H3
InChIKeyXAODLWZPQNSNFL-UHFFFAOYSA-N
XLogP2.70
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity90

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-Methyl-6-propyltetrahydropyran?
The IUPAC name of 3-Methyl-6-propyltetrahydropyran (CID 129806384) is 5-methyl-2-propyloxane.
What is the SMILES notation for 3-Methyl-6-propyltetrahydropyran?
The canonical SMILES for 3-Methyl-6-propyltetrahydropyran is CCCC1CCC(CO1)C.
What is the InChIKey of 3-Methyl-6-propyltetrahydropyran?
The InChIKey is XAODLWZPQNSNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-3-4-9-6-5-8(2)7-10-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-Methyl-6-propyltetrahydropyran?
3-Methyl-6-propyltetrahydropyran has a molecular weight of 142.24 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Methyl-6-propyltetrahydropyran is sourced from PubChem (CID 129806384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).