1,5-dimethyl-2-methylidenespiro[2.2]pentane

C8H12 — CID 123800289

IUPAC1,5-dimethyl-2-methylidenespiro[2.2]pentane
SMILESC=C1C(C)C12CC2C
InChIInChI=1S/C8H12/c1-5-4-8(5)6(2)7(8)3/h5,7H,2,4H2,1,3H3
InChIKeyWDGAQKBHBUANSQ-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.22
Rot. Bonds

About 1,5-dimethyl-2-methylidenespiro[2.2]pentane

1,5-dimethyl-2-methylidenespiro[2.2]pentane (PubChem CID 123800289) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 1,5-dimethyl-2-methylidenespiro[2.2]pentane.

Molecular Properties

Compound Name1,5-dimethyl-2-methylidenespiro[2.2]pentane
PubChem CID123800289
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name1,5-dimethyl-2-methylidenespiro[2.2]pentane
SMILESC=C1C(C)C12CC2C
InChIInChI=1S/C8H12/c1-5-4-8(5)6(2)7(8)3/h5,7H,2,4H2,1,3H3
InChIKeyWDGAQKBHBUANSQ-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.22
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

1,2-dimethyl-4-methylidenebicyclo[1.1.1]pentane
CID 123498475
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
7-ethyl-5-methyl-8-methylidenespiro[2.5]octane
CID 123169354
3-methyl-4-methylidenespiro[cyclopentane-1,9'-fluorene]
CID 10890210
2-methylcyclopropane-1,1-diol
CID 68932442
1,4-diethyl-2-methyl-3-methylidenebicyclo[2.1.0]pentane
CID 123510406
(1S,2S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane
CID 6427544
1,3,5-trimethyl-2-methylidenecyclohexane
CID 58661247
1,1,3-trimethyl-2-methylidenecyclopentane
CID 102022448
(1R,2S,5R,7R,9R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol
CID 133083101
(1S,2R,5S,7S)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol
CID 67218234
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-methylidenespiro[2.2]pentane?
The IUPAC name of 1,5-dimethyl-2-methylidenespiro[2.2]pentane (CID 123800289) is 1,5-dimethyl-2-methylidenespiro[2.2]pentane.
What is the SMILES notation for 1,5-dimethyl-2-methylidenespiro[2.2]pentane?
The canonical SMILES for 1,5-dimethyl-2-methylidenespiro[2.2]pentane is C=C1C(C)C12CC2C.
What is the InChIKey of 1,5-dimethyl-2-methylidenespiro[2.2]pentane?
The InChIKey is WDGAQKBHBUANSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-5-4-8(5)6(2)7(8)3/h5,7H,2,4H2,1,3H3.
What are the key properties of 1,5-dimethyl-2-methylidenespiro[2.2]pentane?
1,5-dimethyl-2-methylidenespiro[2.2]pentane has a molecular weight of 108.18 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-methylidenespiro[2.2]pentane is sourced from PubChem (CID 123800289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).