2,3-dimethyl-5-(2,6,6-trimethylcyclohexen-1-yl)furan

C15H22O — CID 15293740

IUPAC2,3-dimethyl-5-(2,6,6-trimethylcyclohexen-1-yl)furan
SMILESCC1=C(c2cc(C)c(C)o2)C(C)(C)CCC1
InChIInChI=1S/C15H22O/c1-10-7-6-8-15(4,5)14(10)13-9-11(2)12(3)16-13/h9H,6-8H2,1-5H3
InChIKeyJQPIDMCLYIBYNT-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.88
Rot. Bonds1

About 2,3-dimethyl-5-(2,6,6-trimethylcyclohexen-1-yl)furan

2,3-dimethyl-5-(2,6,6-trimethylcyclohexen-1-yl)furan (PubChem CID 15293740) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,3-dimethyl-5-(2,6,6-trimethylcyclohexen-1-yl)furan.

Molecular Properties

Compound Name2,3-dimethyl-5-(2,6,6-trimethylcyclohexen-1-yl)furan
PubChem CID15293740
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2,3-dimethyl-5-(2,6,6-trimethylcyclohexen-1-yl)furan
SMILESCC1=C(c2cc(C)c(C)o2)C(C)(C)CCC1
InChIInChI=1S/C15H22O/c1-10-7-6-8-15(4,5)14(10)13-9-11(2)12(3)16-13/h9H,6-8H2,1-5H3
InChIKeyJQPIDMCLYIBYNT-UHFFFAOYSA-N
XLogP4.88
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trimethyl-(2,6,6-trimethylcyclohexen-1-yl)silane
CID 125488948
1-(2-chloroethyl)-3,5-bis[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrazole
CID 24742654
trimethyl-[(1E,3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]silane
CID 11470674
2,6,6-tri((113C)methyl)(1,2,3,4,5,6-13C6)cyclohexene-1-carbaldehyde
CID 11228964
N,N-dimethyl-2-(2,6,6-trimethylcyclohexen-1-yl)ethenamine
CID 57117640
2,4,4-trimethyl-3-[2-(2,7,7-trimethyl-3,4,5,6-tetrahydroinden-1-yl)ethyl]-1,5,6,7-tetrahydroindene
CID 18705425
(2,6,6-trimethylcyclohexen-1-yl)methanamine;hydrochloride
CID 155858654
1-(2,6,6-trimethylcyclohexen-1-yl)ethanol
CID 539545
4,4,8,8-tetramethyl-1,2,3,5,6,7-hexahydronaphthalene
CID 71441384
3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol
CID 590095
4-hydrazinyl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine
CID 23583649
(2E,4E,6E,8E)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
CID 15517576

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(2,6,6-trimethylcyclohexen-1-yl)furan?
The IUPAC name of 2,3-dimethyl-5-(2,6,6-trimethylcyclohexen-1-yl)furan (CID 15293740) is 2,3-dimethyl-5-(2,6,6-trimethylcyclohexen-1-yl)furan.
What is the SMILES notation for 2,3-dimethyl-5-(2,6,6-trimethylcyclohexen-1-yl)furan?
The canonical SMILES for 2,3-dimethyl-5-(2,6,6-trimethylcyclohexen-1-yl)furan is CC1=C(c2cc(C)c(C)o2)C(C)(C)CCC1.
What is the InChIKey of 2,3-dimethyl-5-(2,6,6-trimethylcyclohexen-1-yl)furan?
The InChIKey is JQPIDMCLYIBYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-10-7-6-8-15(4,5)14(10)13-9-11(2)12(3)16-13/h9H,6-8H2,1-5H3.
What are the key properties of 2,3-dimethyl-5-(2,6,6-trimethylcyclohexen-1-yl)furan?
2,3-dimethyl-5-(2,6,6-trimethylcyclohexen-1-yl)furan has a molecular weight of 218.34 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(2,6,6-trimethylcyclohexen-1-yl)furan is sourced from PubChem (CID 15293740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).