5,6-di(propan-2-ylidene)spiro[2.4]heptane

C13H20 — CID 144506586

IUPAC5,6-di(propan-2-ylidene)spiro[2.4]heptane
SMILESCC(C)=C1CC2(CC2)CC1=C(C)C
InChIInChI=1S/C13H20/c1-9(2)11-7-13(5-6-13)8-12(11)10(3)4/h5-8H2,1-4H3
InChIKeyLAYMYNBINIDOKP-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.23
Rot. Bonds

About 5,6-di(propan-2-ylidene)spiro[2.4]heptane

5,6-di(propan-2-ylidene)spiro[2.4]heptane (PubChem CID 144506586) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 5,6-di(propan-2-ylidene)spiro[2.4]heptane.

Molecular Properties

Compound Name5,6-di(propan-2-ylidene)spiro[2.4]heptane
PubChem CID144506586
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name5,6-di(propan-2-ylidene)spiro[2.4]heptane
SMILESCC(C)=C1CC2(CC2)CC1=C(C)C
InChIInChI=1S/C13H20/c1-9(2)11-7-13(5-6-13)8-12(11)10(3)4/h5-8H2,1-4H3
InChIKeyLAYMYNBINIDOKP-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-(3-fluoro-3-methylbutan-2-ylidene)spiro[2.3]hexane
CID 166840997
1,2,3,3-tetramethyl-5-propan-2-ylidenecyclopentene
CID 21018111
6,7-bis(prop-1-en-2-yl)spiro[3.4]oct-6-ene;ethane
CID 144634443
2-hydroxy-2-methyl-5-propan-2-ylidenecyclopentan-1-one
CID 91374834
1-methylidene-2-propan-2-ylidenecyclopropane
CID 91283136
ethane;6-ethyl-6-azaspiro[2.5]octane-5,7-dione
CID 143100765
(3R)-3,5,5-trimethyl-7-propan-2-ylidene-2,3,4,6-tetrahydro-1H-indene
CID 91753251
1-spiro[3.5]nonan-2-ylidenepropan-2-one
CID 130030903
1,1,3,3-tetrafluoro-2-propan-2-ylidenecyclopentane
CID 170295915
3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one
CID 14632997
2-propan-2-ylidenecyclopropan-1-imine
CID 148696514
2-[(3Z)-3-ethylidene-4-oxospiro[5.5]undecan-2-ylidene]propanedinitrile
CID 142587334

Frequently Asked Questions

What is the IUPAC name of 5,6-di(propan-2-ylidene)spiro[2.4]heptane?
The IUPAC name of 5,6-di(propan-2-ylidene)spiro[2.4]heptane (CID 144506586) is 5,6-di(propan-2-ylidene)spiro[2.4]heptane.
What is the SMILES notation for 5,6-di(propan-2-ylidene)spiro[2.4]heptane?
The canonical SMILES for 5,6-di(propan-2-ylidene)spiro[2.4]heptane is CC(C)=C1CC2(CC2)CC1=C(C)C.
What is the InChIKey of 5,6-di(propan-2-ylidene)spiro[2.4]heptane?
The InChIKey is LAYMYNBINIDOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-9(2)11-7-13(5-6-13)8-12(11)10(3)4/h5-8H2,1-4H3.
What are the key properties of 5,6-di(propan-2-ylidene)spiro[2.4]heptane?
5,6-di(propan-2-ylidene)spiro[2.4]heptane has a molecular weight of 176.30 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(propan-2-ylidene)spiro[2.4]heptane is sourced from PubChem (CID 144506586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).