2-ethyl-1-methyl-4-methylidene-3-propan-2-ylcyclopentane

C12H22 — CID 91509507

IUPAC2-ethyl-1-methyl-4-methylidene-3-propan-2-ylcyclopentane
SMILESC=C1CC(C)C(CC)C1C(C)C
InChIInChI=1S/C12H22/c1-6-11-9(4)7-10(5)12(11)8(2)3/h8-9,11-12H,5-7H2,1-4H3
InChIKeyQKBVGEKIIBUNOW-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.88
Rot. Bonds2

About 2-ethyl-1-methyl-4-methylidene-3-propan-2-ylcyclopentane

2-ethyl-1-methyl-4-methylidene-3-propan-2-ylcyclopentane (PubChem CID 91509507) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2-ethyl-1-methyl-4-methylidene-3-propan-2-ylcyclopentane.

Molecular Properties

Compound Name2-ethyl-1-methyl-4-methylidene-3-propan-2-ylcyclopentane
PubChem CID91509507
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name2-ethyl-1-methyl-4-methylidene-3-propan-2-ylcyclopentane
SMILESC=C1CC(C)C(CC)C1C(C)C
InChIInChI=1S/C12H22/c1-6-11-9(4)7-10(5)12(11)8(2)3/h8-9,11-12H,5-7H2,1-4H3
InChIKeyQKBVGEKIIBUNOW-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.88
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

2-ethyl-1-methyl-4-propan-2-yl-3-[(E)-prop-1-enyl]cyclohexane
CID 143896517
(1S,2S,5S)-2-methyl-4-methylidenebicyclo[3.1.0]hexane
CID 134852734
4-ethyl-1-methyl-2-methylidenecyclopentane
CID 149065726
cis-(1R,4R)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane
CID 11105555
cis-(1S,4S)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane
CID 154825120
1-methyl-3-methylidene-2-propan-2-yl-4-propan-2-ylsulfanylcyclopentane
CID 138632101
(1S,2R,3R,4R)-2-ethyl-3-(iodomethyl)-1,4-dimethylcyclopentane
CID 58644913
1,2,4-triethyl-3-methyl-5-propan-2-ylcyclopentane
CID 123693329
trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane
CID 124506499
1-ethyl-2-methylcyclopropane;2-methylpropane
CID 155747981
4-ethyl-3,5-dimethyloxane
CID 91432465
1,2-dimethylcyclopropane;2-methylpropane;propane
CID 142614988

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-4-methylidene-3-propan-2-ylcyclopentane?
The IUPAC name of 2-ethyl-1-methyl-4-methylidene-3-propan-2-ylcyclopentane (CID 91509507) is 2-ethyl-1-methyl-4-methylidene-3-propan-2-ylcyclopentane.
What is the SMILES notation for 2-ethyl-1-methyl-4-methylidene-3-propan-2-ylcyclopentane?
The canonical SMILES for 2-ethyl-1-methyl-4-methylidene-3-propan-2-ylcyclopentane is C=C1CC(C)C(CC)C1C(C)C.
What is the InChIKey of 2-ethyl-1-methyl-4-methylidene-3-propan-2-ylcyclopentane?
The InChIKey is QKBVGEKIIBUNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-6-11-9(4)7-10(5)12(11)8(2)3/h8-9,11-12H,5-7H2,1-4H3.
What are the key properties of 2-ethyl-1-methyl-4-methylidene-3-propan-2-ylcyclopentane?
2-ethyl-1-methyl-4-methylidene-3-propan-2-ylcyclopentane has a molecular weight of 166.31 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-4-methylidene-3-propan-2-ylcyclopentane is sourced from PubChem (CID 91509507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).