2-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethoxy]oxane

C15H26O2 — CID 14462326

IUPAC2-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethoxy]oxane
SMILESCC1(C)CCC/C(=C/COC2CCCCO2)C1
InChIInChI=1S/C15H26O2/c1-15(2)9-5-6-13(12-15)8-11-17-14-7-3-4-10-16-14/h8,14H,3-7,9-12H2,1-2H3/b13-8-
InChIKeyKTCSPCYXNYKJGU-JYRVWZFOSA-N
MW238.37 g/mol
LogP4.06
Rot. Bonds3

About 2-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethoxy]oxane

2-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethoxy]oxane (PubChem CID 14462326) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethoxy]oxane.

Molecular Properties

Compound Name2-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethoxy]oxane
PubChem CID14462326
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethoxy]oxane
SMILESCC1(C)CCC/C(=C/COC2CCCCO2)C1
InChIInChI=1S/C15H26O2/c1-15(2)9-5-6-13(12-15)8-11-17-14-7-3-4-10-16-14/h8,14H,3-7,9-12H2,1-2H3/b13-8-
InChIKeyKTCSPCYXNYKJGU-JYRVWZFOSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2E,6E)-9-[(1S)-2,2-dimethyl-6-methylene-cyclohexyl]-3,7-dimethyl-nona-2,6-dienoxy]tetrahydropyran
CID 12116739
3-Ethenyl-7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene
CID 3608643
2-[(2E,6E)-9-[(1R)-2,2-dimethyl-6-methylene-cyclohexyl]-3,7-dimethyl-nona-2,6-dienoxy]tetrahydropyran
CID 12116540
2-[(2E,6E)-9-cyclohexyl-3,7-dimethyl-nona-2,6-dienoxy]tetrahydropyran
CID 12116735
2-[(E)-5-[(1S,4aR)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]-3-methylpent-2-enoxy]oxane
CID 134970831
2-[(4,6,6-Trimethyl-2-bicyclo[3.1.1]hept-3-enyl)oxy]oxane
CID 289719
2-[(3,5,5-Trimethylcyclohex-2-en-1-yl)oxy]oxane
CID 330572
7,9,11-Trimethyl-3-(prop-1-en-2-yl)-2,4-dioxaspiro[5.5]undec-8-ene
CID 3110816
2-[(2E)-2-(3,3-dimethylcyclohexylidene)ethoxy]oxane
CID 14462325
3,10-Dimethyl-2,4-dioxaspiro[5.5]undec-9-ene
CID 20307664
3-Prop-1-enyl-2,4-dioxaspiro[5.5]undec-9-ene
CID 54433852
2-(2,2-Diethoxyethylidene)-1,1,3-trimethylcyclohexane
CID 154101679

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethoxy]oxane?
The IUPAC name of 2-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethoxy]oxane (CID 14462326) is 2-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethoxy]oxane.
What is the SMILES notation for 2-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethoxy]oxane?
The canonical SMILES for 2-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethoxy]oxane is CC1(C)CCC/C(=C/COC2CCCCO2)C1.
What is the InChIKey of 2-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethoxy]oxane?
The InChIKey is KTCSPCYXNYKJGU-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H26O2/c1-15(2)9-5-6-13(12-15)8-11-17-14-7-3-4-10-16-14/h8,14H,3-7,9-12H2,1-2H3/b13-8-.
What are the key properties of 2-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethoxy]oxane?
2-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethoxy]oxane has a molecular weight of 238.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethoxy]oxane is sourced from PubChem (CID 14462326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).