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

C14H26O2 — CID 139263560

IUPAC(1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclohexane
SMILESC=C1CCCC[C@@H]1CCCOC(C)OCC
InChIInChI=1S/C14H26O2/c1-4-15-13(3)16-11-7-10-14-9-6-5-8-12(14)2/h13-14H,2,4-11H2,1,3H3/t13?,14-/m1/s1
InChIKeyGUXVJNJZLUUSED-ARLHGKGLSA-N
MW226.36 g/mol
LogP3.91
Rot. Bonds7

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

(1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclohexane (PubChem CID 139263560) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclohexane.

Molecular Properties

Compound Name(1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclohexane
PubChem CID139263560
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclohexane
SMILESC=C1CCCC[C@@H]1CCCOC(C)OCC
InChIInChI=1S/C14H26O2/c1-4-15-13(3)16-11-7-10-14-9-6-5-8-12(14)2/h13-14H,2,4-11H2,1,3H3/t13?,14-/m1/s1
InChIKeyGUXVJNJZLUUSED-ARLHGKGLSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.91
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-methylidenecyclohexane?
The IUPAC name of (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclohexane (CID 139263560) is (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclohexane.
What is the SMILES notation for (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclohexane?
The canonical SMILES for (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclohexane is C=C1CCCC[C@@H]1CCCOC(C)OCC.
What is the InChIKey of (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclohexane?
The InChIKey is GUXVJNJZLUUSED-ARLHGKGLSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-15-13(3)16-11-7-10-14-9-6-5-8-12(14)2/h13-14H,2,4-11H2,1,3H3/t13?,14-/m1/s1.
What are the key properties of (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclohexane?
(1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclohexane has a molecular weight of 226.36 g/mol, XLogP of 3.91, 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-methylidenecyclohexane is sourced from PubChem (CID 139263560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).