2,5-dimethyl-7-methylidenespiro[2.4]heptane

C10H16 — CID 123726670

IUPAC2,5-dimethyl-7-methylidenespiro[2.4]heptane
SMILESC=C1CC(C)CC12CC2C
InChIInChI=1S/C10H16/c1-7-4-8(2)10(5-7)6-9(10)3/h7,9H,2,4-6H2,1,3H3
InChIKeyMZPULIFUHGNZHS-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.00
Rot. Bonds

About 2,5-dimethyl-7-methylidenespiro[2.4]heptane

2,5-dimethyl-7-methylidenespiro[2.4]heptane (PubChem CID 123726670) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2,5-dimethyl-7-methylidenespiro[2.4]heptane.

Molecular Properties

Compound Name2,5-dimethyl-7-methylidenespiro[2.4]heptane
PubChem CID123726670
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name2,5-dimethyl-7-methylidenespiro[2.4]heptane
SMILESC=C1CC(C)CC12CC2C
InChIInChI=1S/C10H16/c1-7-4-8(2)10(5-7)6-9(10)3/h7,9H,2,4-6H2,1,3H3
InChIKeyMZPULIFUHGNZHS-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.00
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

Sabinene
CID 18818
(+)-Sabinene
CID 10887971
(-)-Sabinene
CID 11051711
cis-Sabinene
CID 25086832
(5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
CID 6429260
1-Methyl-3-(2-methylprop-2-en-1-yl)cyclopentane
CID 543757
Erythrodiene
CID 91750188
Cyclopentane, 1,1,3-trimethyl-3-(2-methyl-2-propenyl)-
CID 3085990
(5R,7R)-4,10-dimethylidene-7-propan-2-ylspiro[4.5]decane
CID 11138213
(1S,5R)-4-methylidene-1-[(1S)-1,2,2-trimethylcyclopentyl]bicyclo[3.1.0]hexane
CID 102318015
beta-Microbiotene
CID 10954690
Cyclopentane, 1-isopropenyl-2,3-dimethyl-
CID 522361

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-7-methylidenespiro[2.4]heptane?
The IUPAC name of 2,5-dimethyl-7-methylidenespiro[2.4]heptane (CID 123726670) is 2,5-dimethyl-7-methylidenespiro[2.4]heptane.
What is the SMILES notation for 2,5-dimethyl-7-methylidenespiro[2.4]heptane?
The canonical SMILES for 2,5-dimethyl-7-methylidenespiro[2.4]heptane is C=C1CC(C)CC12CC2C.
What is the InChIKey of 2,5-dimethyl-7-methylidenespiro[2.4]heptane?
The InChIKey is MZPULIFUHGNZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-7-4-8(2)10(5-7)6-9(10)3/h7,9H,2,4-6H2,1,3H3.
What are the key properties of 2,5-dimethyl-7-methylidenespiro[2.4]heptane?
2,5-dimethyl-7-methylidenespiro[2.4]heptane has a molecular weight of 136.24 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-7-methylidenespiro[2.4]heptane is sourced from PubChem (CID 123726670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).