8-[4-(methoxymethylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane

C16H26O3 — CID 118678983

IUPAC8-[4-(methoxymethylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane
SMILESCOC=C1CCC(C2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C16H26O3/c1-17-12-13-2-4-14(5-3-13)15-6-8-16(9-7-15)18-10-11-19-16/h12,14-15H,2-11H2,1H3/b13-12-
InChIKeyQDVGJXVIDCVOCD-SEYXRHQNSA-N
MW266.38 g/mol
LogP3.64
Rot. Bonds2

About 8-[4-(methoxymethylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane

8-[4-(methoxymethylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane (PubChem CID 118678983) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 8-[4-(methoxymethylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[4-(methoxymethylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane
PubChem CID118678983
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name8-[4-(methoxymethylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane
SMILESCOC=C1CCC(C2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C16H26O3/c1-17-12-13-2-4-14(5-3-13)15-6-8-16(9-7-15)18-10-11-19-16/h12,14-15H,2-11H2,1H3/b13-12-
InChIKeyQDVGJXVIDCVOCD-SEYXRHQNSA-N
XLogP3.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(methoxymethylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-[4-(methoxymethylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane (CID 118678983) is 8-[4-(methoxymethylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-[4-(methoxymethylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-[4-(methoxymethylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane is COC=C1CCC(C2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 8-[4-(methoxymethylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is QDVGJXVIDCVOCD-SEYXRHQNSA-N. The full InChI is InChI=1S/C16H26O3/c1-17-12-13-2-4-14(5-3-13)15-6-8-16(9-7-15)18-10-11-19-16/h12,14-15H,2-11H2,1H3/b13-12-.
What are the key properties of 8-[4-(methoxymethylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane?
8-[4-(methoxymethylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 266.38 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(methoxymethylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 118678983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).