3-[4-methyl-6-(2,2,6-trimethylcyclohexylidene)hex-3-enyl]furan

C20H30O — CID 73196075

IUPAC3-[4-methyl-6-(2,2,6-trimethylcyclohexylidene)hex-3-enyl]furan
SMILESCC(=CCCc1ccoc1)CC=C1C(C)CCCC1(C)C
InChIInChI=1S/C20H30O/c1-16(7-5-9-18-12-14-21-15-18)10-11-19-17(2)8-6-13-20(19,3)4/h7,11-12,14-15,17H,5-6,8-10,13H2,1-4H3
InChIKeyYJTHRUZPBKMYIC-UHFFFAOYSA-N
MW286.46 g/mol
LogP6.32
Rot. Bonds5

About 3-[4-methyl-6-(2,2,6-trimethylcyclohexylidene)hex-3-enyl]furan

3-[4-methyl-6-(2,2,6-trimethylcyclohexylidene)hex-3-enyl]furan (PubChem CID 73196075) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 3-[4-methyl-6-(2,2,6-trimethylcyclohexylidene)hex-3-enyl]furan.

Molecular Properties

Compound Name3-[4-methyl-6-(2,2,6-trimethylcyclohexylidene)hex-3-enyl]furan
PubChem CID73196075
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name3-[4-methyl-6-(2,2,6-trimethylcyclohexylidene)hex-3-enyl]furan
SMILESCC(=CCCc1ccoc1)CC=C1C(C)CCCC1(C)C
InChIInChI=1S/C20H30O/c1-16(7-5-9-18-12-14-21-15-18)10-11-19-17(2)8-6-13-20(19,3)4/h7,11-12,14-15,17H,5-6,8-10,13H2,1-4H3
InChIKeyYJTHRUZPBKMYIC-UHFFFAOYSA-N
XLogP6.32
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 56.32
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

3-[6-(2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-enyl]furan
CID 72726849
(2S)-2-[(E)-6-(furan-3-yl)-3-methylhex-3-enyl]-1,3,3-trimethylcyclohexan-1-ol
CID 5387251
3-(4,8,12,16-tetramethylicosa-3,7,11,15,18-pentaenyl)furan
CID 123271436
(5S)-5-[(2R,5R)-5-[7-(furan-3-yl)-4-methylhepta-1,4-dienyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one
CID 163081021
3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan
CID 5316534
3-(4,8,12,16-tetramethylhenicosa-3,7,11,15,19-pentaenyl)furan
CID 123177359
3-[(E)-4,6-dimethylhept-3-enyl]furan;(5S,6S)-6-(2,2-dimethylpropyl)-1,5,6-trimethylcyclohexene
CID 161369183
3-[(3E,7E,11E,15E,19E)-4,8,12,16,20-pentamethyltetracosa-3,7,11,15,19-pentaen-23-ynyl]furan
CID 89431367
3-[(3E,7E,11E,15E,19E)-4,8,12,16,20,22-hexamethyltricosa-3,7,11,15,19,21-hexaenyl]furan
CID 89431414
3-(4,8-dimethylpentadeca-3,7-dienyl)furan
CID 74218572
3-(4,8,12,16-tetramethylnonadeca-3,7,11,15-tetraen-18-ynyl)furan
CID 123470713
7-(furan-3-yl)-4-methyl-1-(7-methyl-5,6-dihydro-4H-1-benzofuran-7-yl)hept-4-en-2-one
CID 85094348

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-6-(2,2,6-trimethylcyclohexylidene)hex-3-enyl]furan?
The IUPAC name of 3-[4-methyl-6-(2,2,6-trimethylcyclohexylidene)hex-3-enyl]furan (CID 73196075) is 3-[4-methyl-6-(2,2,6-trimethylcyclohexylidene)hex-3-enyl]furan.
What is the SMILES notation for 3-[4-methyl-6-(2,2,6-trimethylcyclohexylidene)hex-3-enyl]furan?
The canonical SMILES for 3-[4-methyl-6-(2,2,6-trimethylcyclohexylidene)hex-3-enyl]furan is CC(=CCCc1ccoc1)CC=C1C(C)CCCC1(C)C.
What is the InChIKey of 3-[4-methyl-6-(2,2,6-trimethylcyclohexylidene)hex-3-enyl]furan?
The InChIKey is YJTHRUZPBKMYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-16(7-5-9-18-12-14-21-15-18)10-11-19-17(2)8-6-13-20(19,3)4/h7,11-12,14-15,17H,5-6,8-10,13H2,1-4H3.
What are the key properties of 3-[4-methyl-6-(2,2,6-trimethylcyclohexylidene)hex-3-enyl]furan?
3-[4-methyl-6-(2,2,6-trimethylcyclohexylidene)hex-3-enyl]furan has a molecular weight of 286.46 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-6-(2,2,6-trimethylcyclohexylidene)hex-3-enyl]furan is sourced from PubChem (CID 73196075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).