5-ethyl-2-[7-(1-ethyl-2-methylcyclopropyl)hepta-2,3-dien-2-yl]spiro[2.2]pentane

C20H32 — CID 90692248

IUPAC5-ethyl-2-[7-(1-ethyl-2-methylcyclopropyl)hepta-2,3-dien-2-yl]spiro[2.2]pentane
SMILESCCC1CC12CC2C(C)=C=CCCCC1(CC)CC1C
InChIInChI=1S/C20H32/c1-5-17-13-20(17)14-18(20)15(3)10-8-7-9-11-19(6-2)12-16(19)4/h8,16-18H,5-7,9,11-14H2,1-4H3
InChIKeyPIKURVPAFIFBKJ-UHFFFAOYSA-N
MW272.48 g/mol
LogP6.13
Rot. Bonds7

About 5-ethyl-2-[7-(1-ethyl-2-methylcyclopropyl)hepta-2,3-dien-2-yl]spiro[2.2]pentane

5-ethyl-2-[7-(1-ethyl-2-methylcyclopropyl)hepta-2,3-dien-2-yl]spiro[2.2]pentane (PubChem CID 90692248) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is 5-ethyl-2-[7-(1-ethyl-2-methylcyclopropyl)hepta-2,3-dien-2-yl]spiro[2.2]pentane.

Molecular Properties

Compound Name5-ethyl-2-[7-(1-ethyl-2-methylcyclopropyl)hepta-2,3-dien-2-yl]spiro[2.2]pentane
PubChem CID90692248
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name5-ethyl-2-[7-(1-ethyl-2-methylcyclopropyl)hepta-2,3-dien-2-yl]spiro[2.2]pentane
SMILESCCC1CC12CC2C(C)=C=CCCCC1(CC)CC1C
InChIInChI=1S/C20H32/c1-5-17-13-20(17)14-18(20)15(3)10-8-7-9-11-19(6-2)12-16(19)4/h8,16-18H,5-7,9,11-14H2,1-4H3
InChIKeyPIKURVPAFIFBKJ-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Casbene
CID 5280437
(-)-Casbene
CID 5316105
3,7,11,15,15-Pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene
CID 439496
Macrophomene
CID 165368626
3,7,11,15,15-Pentamethylbicyclo(12.1.0)pentadeca-2,6,10-triene
CID 6450251
1,1,2,2,5,5,6,6-Octamethyl-7,8-bis(3-methylbuta-1,2-dienylidene)dispiro[2.0.24.23]octane
CID 12706186
(1S,2E,6E,10E,14R)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene
CID 92000050
Hexa-methylmethylenespiropentane
CID 129653463
Methylidenedispiro[2.5.2.7]octadecane
CID 129815762
Dimethylidenedispiro[2.5.2.7]octadecane
CID 129815869
Methylidenedispiro[2.6.2.6]octadecane
CID 129815917
Dimethylidenedispiro[2.6.2.6]octadecane
CID 129815934

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[7-(1-ethyl-2-methylcyclopropyl)hepta-2,3-dien-2-yl]spiro[2.2]pentane?
The IUPAC name of 5-ethyl-2-[7-(1-ethyl-2-methylcyclopropyl)hepta-2,3-dien-2-yl]spiro[2.2]pentane (CID 90692248) is 5-ethyl-2-[7-(1-ethyl-2-methylcyclopropyl)hepta-2,3-dien-2-yl]spiro[2.2]pentane.
What is the SMILES notation for 5-ethyl-2-[7-(1-ethyl-2-methylcyclopropyl)hepta-2,3-dien-2-yl]spiro[2.2]pentane?
The canonical SMILES for 5-ethyl-2-[7-(1-ethyl-2-methylcyclopropyl)hepta-2,3-dien-2-yl]spiro[2.2]pentane is CCC1CC12CC2C(C)=C=CCCCC1(CC)CC1C.
What is the InChIKey of 5-ethyl-2-[7-(1-ethyl-2-methylcyclopropyl)hepta-2,3-dien-2-yl]spiro[2.2]pentane?
The InChIKey is PIKURVPAFIFBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32/c1-5-17-13-20(17)14-18(20)15(3)10-8-7-9-11-19(6-2)12-16(19)4/h8,16-18H,5-7,9,11-14H2,1-4H3.
What are the key properties of 5-ethyl-2-[7-(1-ethyl-2-methylcyclopropyl)hepta-2,3-dien-2-yl]spiro[2.2]pentane?
5-ethyl-2-[7-(1-ethyl-2-methylcyclopropyl)hepta-2,3-dien-2-yl]spiro[2.2]pentane has a molecular weight of 272.48 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[7-(1-ethyl-2-methylcyclopropyl)hepta-2,3-dien-2-yl]spiro[2.2]pentane is sourced from PubChem (CID 90692248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).