3-[6-(2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-enyl]furan

C20H30O — CID 72726849

IUPAC3-[6-(2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-enyl]furan
SMILESC=C1CCCC(C)(C)C1CCC(C)=CCCc1ccoc1
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/h7,12,14-15,19H,2,5-6,8-11,13H2,1,3-4H3
InChIKeyKBXKFFRFDVAEGH-UHFFFAOYSA-N
MW286.46 g/mol
LogP6.32
Rot. Bonds6

About 3-[6-(2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-enyl]furan

3-[6-(2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-enyl]furan (PubChem CID 72726849) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 3-[6-(2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-enyl]furan.

Molecular Properties

Compound Name3-[6-(2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-enyl]furan
PubChem CID72726849
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name3-[6-(2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-enyl]furan
SMILESC=C1CCCC(C)(C)C1CCC(C)=CCCc1ccoc1
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/h7,12,14-15,19H,2,5-6,8-11,13H2,1,3-4H3
InChIKeyKBXKFFRFDVAEGH-UHFFFAOYSA-N
XLogP6.32
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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

(2S)-2-[(3E,7E)-10-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,8-dimethyldeca-3,7-dienyl]-1,1-dimethyl-3-methylidenecyclohexane
CID 132559350
(2S)-2-[(E)-6-(furan-3-yl)-3-methylhex-3-enyl]-1,3,3-trimethylcyclohexan-1-ol
CID 5387251
(2S)-1,1-dimethyl-3-methylidene-2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]cyclohexane
CID 100918373
(2Z,6Z)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-ol
CID 92530225
(Z)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-2-en-1-ol
CID 163006051
3-(4,8,12,16-tetramethylhenicosa-3,7,11,15,19-pentaenyl)furan
CID 123177359
8-[6-(2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-enyl]-4,4,7,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalene
CID 162998240
cis-(1R,2R)-2-[2-(furan-3-yl)ethyl]-1-methyl-3-methylidenecyclohexane-1-carboxylic acid
CID 155539245
(1R,2R,4aS,8aR)-1-[(E)-6-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhex-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 92966593
(1S,2R,4aS,8aR)-1-[(E)-6-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhex-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 92966594
3-(4,8,12,16-tetramethylicosa-3,7,11,15,18-pentaenyl)furan
CID 123271436
3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan
CID 5316534

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-enyl]furan?
The IUPAC name of 3-[6-(2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-enyl]furan (CID 72726849) is 3-[6-(2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-enyl]furan.
What is the SMILES notation for 3-[6-(2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-enyl]furan?
The canonical SMILES for 3-[6-(2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-enyl]furan is C=C1CCCC(C)(C)C1CCC(C)=CCCc1ccoc1.
What is the InChIKey of 3-[6-(2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-enyl]furan?
The InChIKey is KBXKFFRFDVAEGH-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/h7,12,14-15,19H,2,5-6,8-11,13H2,1,3-4H3.
What are the key properties of 3-[6-(2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-enyl]furan?
3-[6-(2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-enyl]furan has a molecular weight of 286.46 g/mol, XLogP of 6.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-enyl]furan is sourced from PubChem (CID 72726849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).