4-methyl-5-propyloxolan-2-ol

C8H16O2 — CID 13468614

IUPAC4-methyl-5-propyloxolan-2-ol
SMILESCCCC1OC(O)CC1C
InChIInChI=1S/C8H16O2/c1-3-4-7-6(2)5-8(9)10-7/h6-9H,3-5H2,1-2H3
InChIKeyXVPGRCIZPBXAPY-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.53
Rot. Bonds2

About 4-methyl-5-propyloxolan-2-ol

4-methyl-5-propyloxolan-2-ol (PubChem CID 13468614) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 4-methyl-5-propyloxolan-2-ol.

Molecular Properties

Compound Name4-methyl-5-propyloxolan-2-ol
PubChem CID13468614
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name4-methyl-5-propyloxolan-2-ol
SMILESCCCC1OC(O)CC1C
InChIInChI=1S/C8H16O2/c1-3-4-7-6(2)5-8(9)10-7/h6-9H,3-5H2,1-2H3
InChIKeyXVPGRCIZPBXAPY-UHFFFAOYSA-N
XLogP1.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propyloxolan-2-ol?
The IUPAC name of 4-methyl-5-propyloxolan-2-ol (CID 13468614) is 4-methyl-5-propyloxolan-2-ol.
What is the SMILES notation for 4-methyl-5-propyloxolan-2-ol?
The canonical SMILES for 4-methyl-5-propyloxolan-2-ol is CCCC1OC(O)CC1C.
What is the InChIKey of 4-methyl-5-propyloxolan-2-ol?
The InChIKey is XVPGRCIZPBXAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-4-7-6(2)5-8(9)10-7/h6-9H,3-5H2,1-2H3.
What are the key properties of 4-methyl-5-propyloxolan-2-ol?
4-methyl-5-propyloxolan-2-ol has a molecular weight of 144.21 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propyloxolan-2-ol is sourced from PubChem (CID 13468614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).