2-[2-(4-tert-butylcyclohexylidene)ethyl]-(213C)1,3-dioxolane

C15H26O2 — CID 175945843

IUPAC2-[2-(4-tert-butylcyclohexylidene)ethyl]-(213C)1,3-dioxolane
SMILESCC(C)(C)C1CCC(=CC[13CH]2OCCO2)CC1
InChIInChI=1S/C15H26O2/c1-15(2,3)13-7-4-12(5-8-13)6-9-14-16-10-11-17-14/h6,13-14H,4-5,7-11H2,1-3H3/b12-6-/i14+1
InChIKeyLFYHKVQZRYTSAZ-FQJKHJNGSA-N
MW239.36 g/mol
LogP3.91
Rot. Bonds2

About 2-[2-(4-tert-butylcyclohexylidene)ethyl]-(213C)1,3-dioxolane

2-[2-(4-tert-butylcyclohexylidene)ethyl]-(213C)1,3-dioxolane (PubChem CID 175945843) has the molecular formula C15H26O2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[2-(4-tert-butylcyclohexylidene)ethyl]-(213C)1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(4-tert-butylcyclohexylidene)ethyl]-(213C)1,3-dioxolane
PubChem CID175945843
Molecular FormulaC15H26O2
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[2-(4-tert-butylcyclohexylidene)ethyl]-(213C)1,3-dioxolane
SMILESCC(C)(C)C1CCC(=CC[13CH]2OCCO2)CC1
InChIInChI=1S/C15H26O2/c1-15(2,3)13-7-4-12(5-8-13)6-9-14-16-10-11-17-14/h6,13-14H,4-5,7-11H2,1-3H3/b12-6-/i14+1
InChIKeyLFYHKVQZRYTSAZ-FQJKHJNGSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.91
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

1-(4-tert-butylcyclohexylidene)propan-2-one
CID 12753842
1-(4-tert-butylcyclohexylidene)-3,3-dimethylbutan-2-one
CID 15644980
2-(4-tert-butylcyclohexylidene)acetonitrile
CID 10749813
4-tert-butylcyclohexan-1-one
CID 7392
(5S)-5-tert-butyloxepan-2-one
CID 13139227
2-(4-tert-butylcyclohexylidene)-3-oxopropanenitrile
CID 11009069
4-(4-tert-butylcyclohexylidene)butanal;4-(4-methylcyclohexylidene)butanal;4-(3,3,5-trimethylcyclohexylidene)butanal
CID 159540800
2,4-dimethylpentyl 2-(4-tert-butylcyclohexylidene)acetate
CID 101092701
4-tert-butylcyclohexan-1-ol;methane
CID 159612628
2-prop-2-enyl-(213C)1,3-dioxolane
CID 173279538
(4-tert-butylcyclohexylidene)methanone
CID 134893042
(1S,9S,11S,14R,22R,24S)-11,24-ditert-butyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
CID 92962860

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylcyclohexylidene)ethyl]-(213C)1,3-dioxolane?
The IUPAC name of 2-[2-(4-tert-butylcyclohexylidene)ethyl]-(213C)1,3-dioxolane (CID 175945843) is 2-[2-(4-tert-butylcyclohexylidene)ethyl]-(213C)1,3-dioxolane.
What is the SMILES notation for 2-[2-(4-tert-butylcyclohexylidene)ethyl]-(213C)1,3-dioxolane?
The canonical SMILES for 2-[2-(4-tert-butylcyclohexylidene)ethyl]-(213C)1,3-dioxolane is CC(C)(C)C1CCC(=CC[13CH]2OCCO2)CC1.
What is the InChIKey of 2-[2-(4-tert-butylcyclohexylidene)ethyl]-(213C)1,3-dioxolane?
The InChIKey is LFYHKVQZRYTSAZ-FQJKHJNGSA-N. The full InChI is InChI=1S/C15H26O2/c1-15(2,3)13-7-4-12(5-8-13)6-9-14-16-10-11-17-14/h6,13-14H,4-5,7-11H2,1-3H3/b12-6-/i14+1.
What are the key properties of 2-[2-(4-tert-butylcyclohexylidene)ethyl]-(213C)1,3-dioxolane?
2-[2-(4-tert-butylcyclohexylidene)ethyl]-(213C)1,3-dioxolane has a molecular weight of 239.36 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylcyclohexylidene)ethyl]-(213C)1,3-dioxolane is sourced from PubChem (CID 175945843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).