2-heptyl-3,4-dimethyl-2H-pyran

C14H24O — CID 67283434

IUPAC2-heptyl-3,4-dimethyl-2H-pyran
SMILESCCCCCCCC1OC=CC(C)=C1C
InChIInChI=1S/C14H24O/c1-4-5-6-7-8-9-14-13(3)12(2)10-11-15-14/h10-11,14H,4-9H2,1-3H3
InChIKeyPGBQIIMFQASTQP-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.60
Rot. Bonds6

About 2-heptyl-3,4-dimethyl-2H-pyran

2-heptyl-3,4-dimethyl-2H-pyran (PubChem CID 67283434) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-heptyl-3,4-dimethyl-2H-pyran.

Molecular Properties

Compound Name2-heptyl-3,4-dimethyl-2H-pyran
PubChem CID67283434
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-heptyl-3,4-dimethyl-2H-pyran
SMILESCCCCCCCC1OC=CC(C)=C1C
InChIInChI=1S/C14H24O/c1-4-5-6-7-8-9-14-13(3)12(2)10-11-15-14/h10-11,14H,4-9H2,1-3H3
InChIKeyPGBQIIMFQASTQP-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.60
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 2-heptyl-3,4-dimethyl-2H-pyran?
The IUPAC name of 2-heptyl-3,4-dimethyl-2H-pyran (CID 67283434) is 2-heptyl-3,4-dimethyl-2H-pyran.
What is the SMILES notation for 2-heptyl-3,4-dimethyl-2H-pyran?
The canonical SMILES for 2-heptyl-3,4-dimethyl-2H-pyran is CCCCCCCC1OC=CC(C)=C1C.
What is the InChIKey of 2-heptyl-3,4-dimethyl-2H-pyran?
The InChIKey is PGBQIIMFQASTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-4-5-6-7-8-9-14-13(3)12(2)10-11-15-14/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 2-heptyl-3,4-dimethyl-2H-pyran?
2-heptyl-3,4-dimethyl-2H-pyran has a molecular weight of 208.34 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-3,4-dimethyl-2H-pyran is sourced from PubChem (CID 67283434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).