3-[2-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]furan

C15H22O — CID 11769943

IUPAC3-[2-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]furan
SMILESCC1=CCC[C@@H](C)[C@@]1(C)CCc1ccoc1
InChIInChI=1S/C15H22O/c1-12-5-4-6-13(2)15(12,3)9-7-14-8-10-16-11-14/h5,8,10-11,13H,4,6-7,9H2,1-3H3/t13-,15+/m1/s1
InChIKeyAIKFIBDPVFKLSI-HIFRSBDPSA-N
MW218.34 g/mol
LogP4.59
Rot. Bonds3

About 3-[2-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]furan

3-[2-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]furan (PubChem CID 11769943) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-[2-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]furan.

Molecular Properties

Compound Name3-[2-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]furan
PubChem CID11769943
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name3-[2-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]furan
SMILESCC1=CCC[C@@H](C)[C@@]1(C)CCc1ccoc1
InChIInChI=1S/C15H22O/c1-12-5-4-6-13(2)15(12,3)9-7-14-8-10-16-11-14/h5,8,10-11,13H,4,6-7,9H2,1-3H3/t13-,15+/m1/s1
InChIKeyAIKFIBDPVFKLSI-HIFRSBDPSA-N
XLogP4.59
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]furan?
The IUPAC name of 3-[2-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]furan (CID 11769943) is 3-[2-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]furan.
What is the SMILES notation for 3-[2-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]furan?
The canonical SMILES for 3-[2-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]furan is CC1=CCC[C@@H](C)[C@@]1(C)CCc1ccoc1.
What is the InChIKey of 3-[2-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]furan?
The InChIKey is AIKFIBDPVFKLSI-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H22O/c1-12-5-4-6-13(2)15(12,3)9-7-14-8-10-16-11-14/h5,8,10-11,13H,4,6-7,9H2,1-3H3/t13-,15+/m1/s1.
What are the key properties of 3-[2-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]furan?
3-[2-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]furan has a molecular weight of 218.34 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]furan is sourced from PubChem (CID 11769943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).