2-(cyclohexylmethylidene)-5-methyl-3H-furan

C12H18O — CID 91279478

IUPAC2-(cyclohexylmethylidene)-5-methyl-3H-furan
SMILESCC1=CCC(=CC2CCCCC2)O1
InChIInChI=1S/C12H18O/c1-10-7-8-12(13-10)9-11-5-3-2-4-6-11/h7,9,11H,2-6,8H2,1H3
InChIKeyBGXIKOZGPNATPG-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.77
Rot. Bonds1

About 2-(cyclohexylmethylidene)-5-methyl-3H-furan

2-(cyclohexylmethylidene)-5-methyl-3H-furan (PubChem CID 91279478) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 2-(cyclohexylmethylidene)-5-methyl-3H-furan.

Molecular Properties

Compound Name2-(cyclohexylmethylidene)-5-methyl-3H-furan
PubChem CID91279478
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name2-(cyclohexylmethylidene)-5-methyl-3H-furan
SMILESCC1=CCC(=CC2CCCCC2)O1
InChIInChI=1S/C12H18O/c1-10-7-8-12(13-10)9-11-5-3-2-4-6-11/h7,9,11H,2-6,8H2,1H3
InChIKeyBGXIKOZGPNATPG-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylidene)-5-methyl-3H-furan?
The IUPAC name of 2-(cyclohexylmethylidene)-5-methyl-3H-furan (CID 91279478) is 2-(cyclohexylmethylidene)-5-methyl-3H-furan.
What is the SMILES notation for 2-(cyclohexylmethylidene)-5-methyl-3H-furan?
The canonical SMILES for 2-(cyclohexylmethylidene)-5-methyl-3H-furan is CC1=CCC(=CC2CCCCC2)O1.
What is the InChIKey of 2-(cyclohexylmethylidene)-5-methyl-3H-furan?
The InChIKey is BGXIKOZGPNATPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-10-7-8-12(13-10)9-11-5-3-2-4-6-11/h7,9,11H,2-6,8H2,1H3.
What are the key properties of 2-(cyclohexylmethylidene)-5-methyl-3H-furan?
2-(cyclohexylmethylidene)-5-methyl-3H-furan has a molecular weight of 178.27 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylidene)-5-methyl-3H-furan is sourced from PubChem (CID 91279478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).