3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol

C9H16O2 — CID 18783517

IUPAC3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol
SMILESCCCC1=CC(C)COC1O
InChIInChI=1S/C9H16O2/c1-3-4-8-5-7(2)6-11-9(8)10/h5,7,9-10H,3-4,6H2,1-2H3
InChIKeyRFEPWHRAQSVAIK-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.70
Rot. Bonds2

About 3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol

3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol (PubChem CID 18783517) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol.

Molecular Properties

Compound Name3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol
PubChem CID18783517
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol
SMILESCCCC1=CC(C)COC1O
InChIInChI=1S/C9H16O2/c1-3-4-8-5-7(2)6-11-9(8)10/h5,7,9-10H,3-4,6H2,1-2H3
InChIKeyRFEPWHRAQSVAIK-UHFFFAOYSA-N
XLogP1.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-propyl-2,5-dihydrofuran-2-ol
CID 163778108
1-methyl-2-(2-propylcycloprop-2-en-1-yl)hydrazine
CID 129157235
4-amino-6-methyl-2-propylcyclohexa-2,4-dien-1-ol
CID 163779924
5-methyl-2-propylbicyclo[2.2.0]hex-2-ene
CID 123734683
N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
CID 18427373
[3-methyl-6-[(E)-2-naphthalen-1-ylethenyl]-3,6-dihydro-2H-pyran-5-yl]methanol
CID 67674327
(2S,3R,4S,5S)-4-methoxy-5-methyl-2-[(E)-2-(4-propylphenyl)ethenyl]oxan-3-ol
CID 67805233
tributyl-(3-methyl-2,3-dihydrofuran-5-yl)stannane
CID 10937608
3-butylcyclopent-2-en-1-ol
CID 65174589
(1R)-3-propylcyclohex-2-en-1-ol
CID 101101480
3-(4-propylphenyl)oxetane
CID 130361103
(1R,2S)-3-butylcyclobut-3-ene-1,2-diol
CID 15001736

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol?
The IUPAC name of 3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol (CID 18783517) is 3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol.
What is the SMILES notation for 3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol?
The canonical SMILES for 3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol is CCCC1=CC(C)COC1O.
What is the InChIKey of 3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol?
The InChIKey is RFEPWHRAQSVAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-4-8-5-7(2)6-11-9(8)10/h5,7,9-10H,3-4,6H2,1-2H3.
What are the key properties of 3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol?
3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol has a molecular weight of 156.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol is sourced from PubChem (CID 18783517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).