2-[(2,3,4,4-tetramethyl-6-methylidenecyclohexyl)methyl]furan

C16H24O — CID 145155045

IUPAC2-[(2,3,4,4-tetramethyl-6-methylidenecyclohexyl)methyl]furan
SMILESC=C1CC(C)(C)C(C)C(C)C1Cc1ccco1
InChIInChI=1S/C16H24O/c1-11-10-16(4,5)13(3)12(2)15(11)9-14-7-6-8-17-14/h6-8,12-13,15H,1,9-10H2,2-5H3
InChIKeyDAHNOCQDOKWCKT-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.70
Rot. Bonds2

About 2-[(2,3,4,4-tetramethyl-6-methylidenecyclohexyl)methyl]furan

2-[(2,3,4,4-tetramethyl-6-methylidenecyclohexyl)methyl]furan (PubChem CID 145155045) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[(2,3,4,4-tetramethyl-6-methylidenecyclohexyl)methyl]furan.

Molecular Properties

Compound Name2-[(2,3,4,4-tetramethyl-6-methylidenecyclohexyl)methyl]furan
PubChem CID145155045
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name2-[(2,3,4,4-tetramethyl-6-methylidenecyclohexyl)methyl]furan
SMILESC=C1CC(C)(C)C(C)C(C)C1Cc1ccco1
InChIInChI=1S/C16H24O/c1-11-10-16(4,5)13(3)12(2)15(11)9-14-7-6-8-17-14/h6-8,12-13,15H,1,9-10H2,2-5H3
InChIKeyDAHNOCQDOKWCKT-UHFFFAOYSA-N
XLogP4.70
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.70
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 2-[(2,3,4,4-tetramethyl-6-methylidenecyclohexyl)methyl]furan?
The IUPAC name of 2-[(2,3,4,4-tetramethyl-6-methylidenecyclohexyl)methyl]furan (CID 145155045) is 2-[(2,3,4,4-tetramethyl-6-methylidenecyclohexyl)methyl]furan.
What is the SMILES notation for 2-[(2,3,4,4-tetramethyl-6-methylidenecyclohexyl)methyl]furan?
The canonical SMILES for 2-[(2,3,4,4-tetramethyl-6-methylidenecyclohexyl)methyl]furan is C=C1CC(C)(C)C(C)C(C)C1Cc1ccco1.
What is the InChIKey of 2-[(2,3,4,4-tetramethyl-6-methylidenecyclohexyl)methyl]furan?
The InChIKey is DAHNOCQDOKWCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-11-10-16(4,5)13(3)12(2)15(11)9-14-7-6-8-17-14/h6-8,12-13,15H,1,9-10H2,2-5H3.
What are the key properties of 2-[(2,3,4,4-tetramethyl-6-methylidenecyclohexyl)methyl]furan?
2-[(2,3,4,4-tetramethyl-6-methylidenecyclohexyl)methyl]furan has a molecular weight of 232.37 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,4,4-tetramethyl-6-methylidenecyclohexyl)methyl]furan is sourced from PubChem (CID 145155045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).