3-(2-methylbut-2-enyl)-3,6-dihydro-2H-pyran

C10H16O — CID 123286021

IUPAC3-(2-methylbut-2-enyl)-3,6-dihydro-2H-pyran
SMILESCC=C(C)CC1C=CCOC1
InChIInChI=1S/C10H16O/c1-3-9(2)7-10-5-4-6-11-8-10/h3-5,10H,6-8H2,1-2H3
InChIKeyOFJPKQLZLONVNL-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.55
Rot. Bonds2

About 3-(2-methylbut-2-enyl)-3,6-dihydro-2H-pyran

3-(2-methylbut-2-enyl)-3,6-dihydro-2H-pyran (PubChem CID 123286021) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-(2-methylbut-2-enyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name3-(2-methylbut-2-enyl)-3,6-dihydro-2H-pyran
PubChem CID123286021
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-(2-methylbut-2-enyl)-3,6-dihydro-2H-pyran
SMILESCC=C(C)CC1C=CCOC1
InChIInChI=1S/C10H16O/c1-3-9(2)7-10-5-4-6-11-8-10/h3-5,10H,6-8H2,1-2H3
InChIKeyOFJPKQLZLONVNL-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbut-2-enyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 3-(2-methylbut-2-enyl)-3,6-dihydro-2H-pyran (CID 123286021) is 3-(2-methylbut-2-enyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 3-(2-methylbut-2-enyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 3-(2-methylbut-2-enyl)-3,6-dihydro-2H-pyran is CC=C(C)CC1C=CCOC1.
What is the InChIKey of 3-(2-methylbut-2-enyl)-3,6-dihydro-2H-pyran?
The InChIKey is OFJPKQLZLONVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-9(2)7-10-5-4-6-11-8-10/h3-5,10H,6-8H2,1-2H3.
What are the key properties of 3-(2-methylbut-2-enyl)-3,6-dihydro-2H-pyran?
3-(2-methylbut-2-enyl)-3,6-dihydro-2H-pyran has a molecular weight of 152.24 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbut-2-enyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 123286021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).