4-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran

C13H18O — CID 68712427

IUPAC4-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran
SMILESCC1(C)CCC=CC1C1=CCOC=C1
InChIInChI=1S/C13H18O/c1-13(2)8-4-3-5-12(13)11-6-9-14-10-7-11/h3,5-7,9,12H,4,8,10H2,1-2H3
InChIKeyUZXUCMPGSYTNAO-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.45
Rot. Bonds1

About 4-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran

4-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran (PubChem CID 68712427) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran.

Molecular Properties

Compound Name4-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran
PubChem CID68712427
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name4-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran
SMILESCC1(C)CCC=CC1C1=CCOC=C1
InChIInChI=1S/C13H18O/c1-13(2)8-4-3-5-12(13)11-6-9-14-10-7-11/h3,5-7,9,12H,4,8,10H2,1-2H3
InChIKeyUZXUCMPGSYTNAO-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.45
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

6-(3-Ethoxy-1-buten-1-yl)-1,5,5-trimethylcyclohexene
CID 3017992
6-(3-Ethoxybuten-1-yl)-1,5,5-trimethylcyclohexene
CID 6365665
5-Cyclohexa-1,3-dien-1-yl-1-fluoro-2-(methoxymethyl)-4-methylcyclohexa-1,3-diene
CID 70961035
3-Ethoxy-1,2-difluoro-6-methyl-6-(1-methyl-4-propylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene
CID 134377538
6-[(1E,3E)-4-methoxy-3-methylbuta-1,3-dienyl]-1,5,5-trimethylcyclohexene
CID 122205507
1-(2,6,6-Trimethylcyclohexen-1-yl)-3-methoxy-1,3-butadiene
CID 129878286
2-(2-Methoxyethenyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 134833668
7-Methoxy-4-prop-1-en-2-yl-1,2,4a,8a-tetrahydronaphthalene
CID 134885880
(1S,5R)-2-[(E)-2-methoxyethenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 134987512
7-methoxy-4,4a-dimethyl-2,3,4,5-tetrahydro-1H-naphthalene
CID 135042222
(5S)-5-[(E,2R)-7-methoxy-6-methylhept-5-en-2-yl]-2-methylcyclohexa-1,3-diene
CID 178340132
(3S)-3-[(E,2R)-7-methoxy-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
CID 178340134

Frequently Asked Questions

What is the IUPAC name of 4-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran?
The IUPAC name of 4-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran (CID 68712427) is 4-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran.
What is the SMILES notation for 4-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran?
The canonical SMILES for 4-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran is CC1(C)CCC=CC1C1=CCOC=C1.
What is the InChIKey of 4-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran?
The InChIKey is UZXUCMPGSYTNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-13(2)8-4-3-5-12(13)11-6-9-14-10-7-11/h3,5-7,9,12H,4,8,10H2,1-2H3.
What are the key properties of 4-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran?
4-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran has a molecular weight of 190.29 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran is sourced from PubChem (CID 68712427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).