2-cyclohex-2-en-1-yl-4-methyl-2H-pyran

C12H16O — CID 53438111

IUPAC2-cyclohex-2-en-1-yl-4-methyl-2H-pyran
SMILESCC1=CC(C2C=CCCC2)OC=C1
InChIInChI=1S/C12H16O/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h3,5,7-9,11-12H,2,4,6H2,1H3
InChIKeyZMGWILBWVCWZRZ-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.20
Rot. Bonds1

About 2-cyclohex-2-en-1-yl-4-methyl-2H-pyran

2-cyclohex-2-en-1-yl-4-methyl-2H-pyran (PubChem CID 53438111) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yl-4-methyl-2H-pyran.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yl-4-methyl-2H-pyran
PubChem CID53438111
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2-cyclohex-2-en-1-yl-4-methyl-2H-pyran
SMILESCC1=CC(C2C=CCCC2)OC=C1
InChIInChI=1S/C12H16O/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h3,5,7-9,11-12H,2,4,6H2,1H3
InChIKeyZMGWILBWVCWZRZ-UHFFFAOYSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 11020500
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CID 21771054
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CID 101746192
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CID 134857918
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CID 135036678
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CID 135075597
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-yl-4-methyl-2H-pyran?
The IUPAC name of 2-cyclohex-2-en-1-yl-4-methyl-2H-pyran (CID 53438111) is 2-cyclohex-2-en-1-yl-4-methyl-2H-pyran.
What is the SMILES notation for 2-cyclohex-2-en-1-yl-4-methyl-2H-pyran?
The canonical SMILES for 2-cyclohex-2-en-1-yl-4-methyl-2H-pyran is CC1=CC(C2C=CCCC2)OC=C1.
What is the InChIKey of 2-cyclohex-2-en-1-yl-4-methyl-2H-pyran?
The InChIKey is ZMGWILBWVCWZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h3,5,7-9,11-12H,2,4,6H2,1H3.
What are the key properties of 2-cyclohex-2-en-1-yl-4-methyl-2H-pyran?
2-cyclohex-2-en-1-yl-4-methyl-2H-pyran has a molecular weight of 176.26 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yl-4-methyl-2H-pyran is sourced from PubChem (CID 53438111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).