5-ethyl-1,2-dimethyl-2-prop-1-ynylspiro[2.2]pentane

C12H18 — CID 91167595

IUPAC5-ethyl-1,2-dimethyl-2-prop-1-ynylspiro[2.2]pentane
SMILESCC#CC1(C)C(C)C12CC2CC
InChIInChI=1S/C12H18/c1-5-7-11(4)9(3)12(11)8-10(12)6-2/h9-10H,6,8H2,1-4H3
InChIKeyLJENDZGEVPHYQP-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.08
Rot. Bonds1

About 5-ethyl-1,2-dimethyl-2-prop-1-ynylspiro[2.2]pentane

5-ethyl-1,2-dimethyl-2-prop-1-ynylspiro[2.2]pentane (PubChem CID 91167595) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 5-ethyl-1,2-dimethyl-2-prop-1-ynylspiro[2.2]pentane.

Molecular Properties

Compound Name5-ethyl-1,2-dimethyl-2-prop-1-ynylspiro[2.2]pentane
PubChem CID91167595
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name5-ethyl-1,2-dimethyl-2-prop-1-ynylspiro[2.2]pentane
SMILESCC#CC1(C)C(C)C12CC2CC
InChIInChI=1S/C12H18/c1-5-7-11(4)9(3)12(11)8-10(12)6-2/h9-10H,6,8H2,1-4H3
InChIKeyLJENDZGEVPHYQP-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-Butylspiropentane
CID 22566
1'-Methyl-1,1':2',1''-tercyclopropane
CID 519050
1,1'-Bicyclopropyl, 2,2,2',2'-tetramethyl-
CID 563701
Quatercyclopropane
CID 46850497
1,2',2'-Trimethyl-1,1'-bi(cyclopropane)
CID 13115327
Tetramethylde-cyne
CID 22267109
1-Cyclopropylmethyl-1,2-diethylcyclopropane
CID 91612623
Ethyl dispiro[2.0.2.1]heptane
CID 129802396
Spiropentane, propyl-
CID 549029
2-[2-(1-Cyclopropylcyclopropyl)ethyl]-1,1-dimethylcyclopropane
CID 141766157
1,1-Dicyclopropylspiro[2.2]pentane
CID 12429719
7-Dispiro[2.0.24.13]heptan-7-yldispiro[2.0.24.13]heptane
CID 85806983

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,2-dimethyl-2-prop-1-ynylspiro[2.2]pentane?
The IUPAC name of 5-ethyl-1,2-dimethyl-2-prop-1-ynylspiro[2.2]pentane (CID 91167595) is 5-ethyl-1,2-dimethyl-2-prop-1-ynylspiro[2.2]pentane.
What is the SMILES notation for 5-ethyl-1,2-dimethyl-2-prop-1-ynylspiro[2.2]pentane?
The canonical SMILES for 5-ethyl-1,2-dimethyl-2-prop-1-ynylspiro[2.2]pentane is CC#CC1(C)C(C)C12CC2CC.
What is the InChIKey of 5-ethyl-1,2-dimethyl-2-prop-1-ynylspiro[2.2]pentane?
The InChIKey is LJENDZGEVPHYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-5-7-11(4)9(3)12(11)8-10(12)6-2/h9-10H,6,8H2,1-4H3.
What are the key properties of 5-ethyl-1,2-dimethyl-2-prop-1-ynylspiro[2.2]pentane?
5-ethyl-1,2-dimethyl-2-prop-1-ynylspiro[2.2]pentane has a molecular weight of 162.28 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,2-dimethyl-2-prop-1-ynylspiro[2.2]pentane is sourced from PubChem (CID 91167595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).