8-[4-(2-methylpropylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane

C18H30O2 — CID 118679006

IUPAC8-[4-(2-methylpropylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane
SMILESCC(C)C=C1CCC(C2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C18H30O2/c1-14(2)13-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-12-20-18/h13-14,16-17H,3-12H2,1-2H3/b15-13-
InChIKeyUERCSXBIBJVJMU-SQFISAMPSA-N
MW278.44 g/mol
LogP4.69
Rot. Bonds2

About 8-[4-(2-methylpropylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane

8-[4-(2-methylpropylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane (PubChem CID 118679006) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 8-[4-(2-methylpropylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[4-(2-methylpropylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane
PubChem CID118679006
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name8-[4-(2-methylpropylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane
SMILESCC(C)C=C1CCC(C2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C18H30O2/c1-14(2)13-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-12-20-18/h13-14,16-17H,3-12H2,1-2H3/b15-13-
InChIKeyUERCSXBIBJVJMU-SQFISAMPSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(2-methylpropylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-[4-(2-methylpropylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane (CID 118679006) is 8-[4-(2-methylpropylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-[4-(2-methylpropylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-[4-(2-methylpropylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane is CC(C)C=C1CCC(C2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 8-[4-(2-methylpropylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is UERCSXBIBJVJMU-SQFISAMPSA-N. The full InChI is InChI=1S/C18H30O2/c1-14(2)13-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-12-20-18/h13-14,16-17H,3-12H2,1-2H3/b15-13-.
What are the key properties of 8-[4-(2-methylpropylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane?
8-[4-(2-methylpropylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 278.44 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2-methylpropylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 118679006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).