8-(3-methyl-4-propylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane

C18H30O2 — CID 131745932

IUPAC8-(3-methyl-4-propylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane
SMILESCCC=C1CCC(C2CCC3(CC2)OCCO3)CC1C
InChIInChI=1S/C18H30O2/c1-3-4-15-5-6-17(13-14(15)2)16-7-9-18(10-8-16)19-11-12-20-18/h4,14,16-17H,3,5-13H2,1-2H3
InChIKeyMSKNULCXWZNYSZ-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.69
Rot. Bonds2

About 8-(3-methyl-4-propylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane

8-(3-methyl-4-propylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 131745932) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 8-(3-methyl-4-propylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3-methyl-4-propylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane
PubChem CID131745932
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name8-(3-methyl-4-propylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane
SMILESCCC=C1CCC(C2CCC3(CC2)OCCO3)CC1C
InChIInChI=1S/C18H30O2/c1-3-4-15-5-6-17(13-14(15)2)16-7-9-18(10-8-16)19-11-12-20-18/h4,14,16-17H,3,5-13H2,1-2H3
InChIKeyMSKNULCXWZNYSZ-UHFFFAOYSA-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-(3-methyl-4-propylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(3-methyl-4-propylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane (CID 131745932) is 8-(3-methyl-4-propylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(3-methyl-4-propylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(3-methyl-4-propylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane is CCC=C1CCC(C2CCC3(CC2)OCCO3)CC1C.
What is the InChIKey of 8-(3-methyl-4-propylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is MSKNULCXWZNYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-3-4-15-5-6-17(13-14(15)2)16-7-9-18(10-8-16)19-11-12-20-18/h4,14,16-17H,3,5-13H2,1-2H3.
What are the key properties of 8-(3-methyl-4-propylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane?
8-(3-methyl-4-propylidenecyclohexyl)-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-(3-methyl-4-propylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 131745932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).