3-methyl-5-methylidene-6-octyl-2H-pyran

C15H26O — CID 10082301

IUPAC3-methyl-5-methylidene-6-octyl-2H-pyran
SMILESC=C1C=C(C)COC1CCCCCCCC
InChIInChI=1S/C15H26O/c1-4-5-6-7-8-9-10-15-14(3)11-13(2)12-16-15/h11,15H,3-10,12H2,1-2H3
InChIKeyQTUVRMAIFAXDGM-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.64
Rot. Bonds7

About 3-methyl-5-methylidene-6-octyl-2H-pyran

3-methyl-5-methylidene-6-octyl-2H-pyran (PubChem CID 10082301) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 3-methyl-5-methylidene-6-octyl-2H-pyran.

Molecular Properties

Compound Name3-methyl-5-methylidene-6-octyl-2H-pyran
PubChem CID10082301
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name3-methyl-5-methylidene-6-octyl-2H-pyran
SMILESC=C1C=C(C)COC1CCCCCCCC
InChIInChI=1S/C15H26O/c1-4-5-6-7-8-9-10-15-14(3)11-13(2)12-16-15/h11,15H,3-10,12H2,1-2H3
InChIKeyQTUVRMAIFAXDGM-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylidene-6-octyl-2H-pyran?
The IUPAC name of 3-methyl-5-methylidene-6-octyl-2H-pyran (CID 10082301) is 3-methyl-5-methylidene-6-octyl-2H-pyran.
What is the SMILES notation for 3-methyl-5-methylidene-6-octyl-2H-pyran?
The canonical SMILES for 3-methyl-5-methylidene-6-octyl-2H-pyran is C=C1C=C(C)COC1CCCCCCCC.
What is the InChIKey of 3-methyl-5-methylidene-6-octyl-2H-pyran?
The InChIKey is QTUVRMAIFAXDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-4-5-6-7-8-9-10-15-14(3)11-13(2)12-16-15/h11,15H,3-10,12H2,1-2H3.
What are the key properties of 3-methyl-5-methylidene-6-octyl-2H-pyran?
3-methyl-5-methylidene-6-octyl-2H-pyran has a molecular weight of 222.37 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylidene-6-octyl-2H-pyran is sourced from PubChem (CID 10082301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).