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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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).