2-(3,7-dimethyloct-3-en-4-yl)-1-ethyl-5-methylspiro[2.2]pentane

C18H32 — CID 123343076

IUPAC2-(3,7-dimethyloct-3-en-4-yl)-1-ethyl-5-methylspiro[2.2]pentane
SMILESCCC(C)=C(CCC(C)C)C1C(CC)C12CC2C
InChIInChI=1S/C18H32/c1-7-13(5)15(10-9-12(3)4)17-16(8-2)18(17)11-14(18)6/h12,14,16-17H,7-11H2,1-6H3
InChIKeyBBSFKABIAROMHD-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.83
Rot. Bonds6

About 2-(3,7-dimethyloct-3-en-4-yl)-1-ethyl-5-methylspiro[2.2]pentane

2-(3,7-dimethyloct-3-en-4-yl)-1-ethyl-5-methylspiro[2.2]pentane (PubChem CID 123343076) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 2-(3,7-dimethyloct-3-en-4-yl)-1-ethyl-5-methylspiro[2.2]pentane.

Molecular Properties

Compound Name2-(3,7-dimethyloct-3-en-4-yl)-1-ethyl-5-methylspiro[2.2]pentane
PubChem CID123343076
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name2-(3,7-dimethyloct-3-en-4-yl)-1-ethyl-5-methylspiro[2.2]pentane
SMILESCCC(C)=C(CCC(C)C)C1C(CC)C12CC2C
InChIInChI=1S/C18H32/c1-7-13(5)15(10-9-12(3)4)17-16(8-2)18(17)11-14(18)6/h12,14,16-17H,7-11H2,1-6H3
InChIKeyBBSFKABIAROMHD-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Casbene
CID 5280437
Pacificin I
CID 21574270
(-)-Casbene
CID 5316105
3,7,11,15,15-Pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene
CID 439496
Macrophomene
CID 165368626
4-Methyl-3-carene
CID 14029516
syn-Tricyclo[5.1.0.0(2,4)]oct-5-ene, 3,3,5,6,8,8-hexamethyl-
CID 600264
1,3,3-Trimethyl-2-(2-methyl-cyclopropyl)-cyclohexene
CID 595941
2-(3,7-Dimethylnonyl)-1,3,3-trimethylcyclohexene
CID 141781617
1-tert-Butyl-4-cyclopropylidenecyclohexane
CID 13280445
3,7,11,15,15-Pentamethylbicyclo(12.1.0)pentadeca-2,6,10-triene
CID 6450251
5-(1-Fluoropropylidene)-3,4,4,6,6,7-hexamethylnonane
CID 166942042

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethyloct-3-en-4-yl)-1-ethyl-5-methylspiro[2.2]pentane?
The IUPAC name of 2-(3,7-dimethyloct-3-en-4-yl)-1-ethyl-5-methylspiro[2.2]pentane (CID 123343076) is 2-(3,7-dimethyloct-3-en-4-yl)-1-ethyl-5-methylspiro[2.2]pentane.
What is the SMILES notation for 2-(3,7-dimethyloct-3-en-4-yl)-1-ethyl-5-methylspiro[2.2]pentane?
The canonical SMILES for 2-(3,7-dimethyloct-3-en-4-yl)-1-ethyl-5-methylspiro[2.2]pentane is CCC(C)=C(CCC(C)C)C1C(CC)C12CC2C.
What is the InChIKey of 2-(3,7-dimethyloct-3-en-4-yl)-1-ethyl-5-methylspiro[2.2]pentane?
The InChIKey is BBSFKABIAROMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-7-13(5)15(10-9-12(3)4)17-16(8-2)18(17)11-14(18)6/h12,14,16-17H,7-11H2,1-6H3.
What are the key properties of 2-(3,7-dimethyloct-3-en-4-yl)-1-ethyl-5-methylspiro[2.2]pentane?
2-(3,7-dimethyloct-3-en-4-yl)-1-ethyl-5-methylspiro[2.2]pentane has a molecular weight of 248.45 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethyloct-3-en-4-yl)-1-ethyl-5-methylspiro[2.2]pentane is sourced from PubChem (CID 123343076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).