(1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecycloheptane

C15H28O2 — CID 139263561

IUPAC(1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecycloheptane
SMILESC=C1CCCCC[C@@H]1CCCOC(C)OCC
InChIInChI=1S/C15H28O2/c1-4-16-14(3)17-12-8-11-15-10-7-5-6-9-13(15)2/h14-15H,2,4-12H2,1,3H3/t14?,15-/m1/s1
InChIKeyRXTSLINAIIDJSW-YSSOQSIOSA-N
MW240.39 g/mol
LogP4.30
Rot. Bonds7

About (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecycloheptane

(1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecycloheptane (PubChem CID 139263561) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecycloheptane.

Molecular Properties

Compound Name(1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecycloheptane
PubChem CID139263561
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecycloheptane
SMILESC=C1CCCCC[C@@H]1CCCOC(C)OCC
InChIInChI=1S/C15H28O2/c1-4-16-14(3)17-12-8-11-15-10-7-5-6-9-13(15)2/h14-15H,2,4-12H2,1,3H3/t14?,15-/m1/s1
InChIKeyRXTSLINAIIDJSW-YSSOQSIOSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecycloheptane?
The IUPAC name of (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecycloheptane (CID 139263561) is (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecycloheptane.
What is the SMILES notation for (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecycloheptane?
The canonical SMILES for (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecycloheptane is C=C1CCCCC[C@@H]1CCCOC(C)OCC.
What is the InChIKey of (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecycloheptane?
The InChIKey is RXTSLINAIIDJSW-YSSOQSIOSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-16-14(3)17-12-8-11-15-10-7-5-6-9-13(15)2/h14-15H,2,4-12H2,1,3H3/t14?,15-/m1/s1.
What are the key properties of (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecycloheptane?
(1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecycloheptane has a molecular weight of 240.39 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecycloheptane is sourced from PubChem (CID 139263561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).