2,7-dimethyl-2-prop-1-en-2-ylspiro[2.4]heptane

C12H20 — CID 123651222

IUPAC2,7-dimethyl-2-prop-1-en-2-ylspiro[2.4]heptane
SMILESC=C(C)C1(C)CC12CCCC2C
InChIInChI=1S/C12H20/c1-9(2)11(4)8-12(11)7-5-6-10(12)3/h10H,1,5-8H2,2-4H3
InChIKeyQCLAUMGAJZIIIC-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.78
Rot. Bonds1

About 2,7-dimethyl-2-prop-1-en-2-ylspiro[2.4]heptane

2,7-dimethyl-2-prop-1-en-2-ylspiro[2.4]heptane (PubChem CID 123651222) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2,7-dimethyl-2-prop-1-en-2-ylspiro[2.4]heptane.

Molecular Properties

Compound Name2,7-dimethyl-2-prop-1-en-2-ylspiro[2.4]heptane
PubChem CID123651222
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name2,7-dimethyl-2-prop-1-en-2-ylspiro[2.4]heptane
SMILESC=C(C)C1(C)CC12CCCC2C
InChIInChI=1S/C12H20/c1-9(2)11(4)8-12(11)7-5-6-10(12)3/h10H,1,5-8H2,2-4H3
InChIKeyQCLAUMGAJZIIIC-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.78
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

1,1,2-trimethyl-2-prop-1-en-2-ylcyclopropane
CID 123266453
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
1,2,3-trimethyl-1-prop-1-en-2-ylcyclohexane
CID 91136006
1,2-dimethylcyclopentan-1-amine;hydrochloride
CID 146050243
(5S)-6,10,10-trimethylspiro[4.5]decan-3-ol
CID 130927419
[(6S,7S)-6,7-dimethyl-1,4-dioxaspiro[4.5]decan-6-yl]methanol
CID 131857309
1,2,2,3-tetramethylcyclohexane-1-carboxylic acid
CID 150924560
1,2,2,3-tetramethylcyclohexan-1-ol;titanium
CID 151433332
(1,2-dimethylcyclopentyl)methanol
CID 544196
[(1S,2R)-1,2-dimethylcyclopentyl]methanol
CID 167089966
1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride
CID 156649181
[2-(aminomethyl)-8-methylspiro[2.5]octan-2-yl]methanol
CID 63043612

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-2-prop-1-en-2-ylspiro[2.4]heptane?
The IUPAC name of 2,7-dimethyl-2-prop-1-en-2-ylspiro[2.4]heptane (CID 123651222) is 2,7-dimethyl-2-prop-1-en-2-ylspiro[2.4]heptane.
What is the SMILES notation for 2,7-dimethyl-2-prop-1-en-2-ylspiro[2.4]heptane?
The canonical SMILES for 2,7-dimethyl-2-prop-1-en-2-ylspiro[2.4]heptane is C=C(C)C1(C)CC12CCCC2C.
What is the InChIKey of 2,7-dimethyl-2-prop-1-en-2-ylspiro[2.4]heptane?
The InChIKey is QCLAUMGAJZIIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-9(2)11(4)8-12(11)7-5-6-10(12)3/h10H,1,5-8H2,2-4H3.
What are the key properties of 2,7-dimethyl-2-prop-1-en-2-ylspiro[2.4]heptane?
2,7-dimethyl-2-prop-1-en-2-ylspiro[2.4]heptane has a molecular weight of 164.29 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-2-prop-1-en-2-ylspiro[2.4]heptane is sourced from PubChem (CID 123651222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).