cyclohepten-1-yl-[5-(2-methylcyclopropyl)furan-2-yl]methanol

C16H22O2 — CID 106651031

IUPACcyclohepten-1-yl-[5-(2-methylcyclopropyl)furan-2-yl]methanol
SMILESCC1CC1c1ccc(C(O)C2=CCCCCC2)o1
InChIInChI=1S/C16H22O2/c1-11-10-13(11)14-8-9-15(18-14)16(17)12-6-4-2-3-5-7-12/h6,8-9,11,13,16-17H,2-5,7,10H2,1H3
InChIKeyLZVPXMZKVWZMIU-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.33
Rot. Bonds3

About cyclohepten-1-yl-[5-(2-methylcyclopropyl)furan-2-yl]methanol

cyclohepten-1-yl-[5-(2-methylcyclopropyl)furan-2-yl]methanol (PubChem CID 106651031) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is cyclohepten-1-yl-[5-(2-methylcyclopropyl)furan-2-yl]methanol.

Molecular Properties

Compound Namecyclohepten-1-yl-[5-(2-methylcyclopropyl)furan-2-yl]methanol
PubChem CID106651031
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Namecyclohepten-1-yl-[5-(2-methylcyclopropyl)furan-2-yl]methanol
SMILESCC1CC1c1ccc(C(O)C2=CCCCCC2)o1
InChIInChI=1S/C16H22O2/c1-11-10-13(11)14-8-9-15(18-14)16(17)12-6-4-2-3-5-7-12/h6,8-9,11,13,16-17H,2-5,7,10H2,1H3
InChIKeyLZVPXMZKVWZMIU-UHFFFAOYSA-N
XLogP4.33
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 cyclohepten-1-yl-[5-(2-methylcyclopropyl)furan-2-yl]methanol?
The IUPAC name of cyclohepten-1-yl-[5-(2-methylcyclopropyl)furan-2-yl]methanol (CID 106651031) is cyclohepten-1-yl-[5-(2-methylcyclopropyl)furan-2-yl]methanol.
What is the SMILES notation for cyclohepten-1-yl-[5-(2-methylcyclopropyl)furan-2-yl]methanol?
The canonical SMILES for cyclohepten-1-yl-[5-(2-methylcyclopropyl)furan-2-yl]methanol is CC1CC1c1ccc(C(O)C2=CCCCCC2)o1.
What is the InChIKey of cyclohepten-1-yl-[5-(2-methylcyclopropyl)furan-2-yl]methanol?
The InChIKey is LZVPXMZKVWZMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-11-10-13(11)14-8-9-15(18-14)16(17)12-6-4-2-3-5-7-12/h6,8-9,11,13,16-17H,2-5,7,10H2,1H3.
What are the key properties of cyclohepten-1-yl-[5-(2-methylcyclopropyl)furan-2-yl]methanol?
cyclohepten-1-yl-[5-(2-methylcyclopropyl)furan-2-yl]methanol has a molecular weight of 246.35 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-[5-(2-methylcyclopropyl)furan-2-yl]methanol is sourced from PubChem (CID 106651031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).