4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane

C15H22 — CID 123596860

IUPAC4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane
SMILESCCC1C2C1C1C3C4C(C)C(C)C4C3C21
InChIInChI=1S/C15H22/c1-4-7-10-11(7)15-13-9-6(3)5(2)8(9)12(13)14(10)15/h5-15H,4H2,1-3H3
InChIKeyKXSSIOQXFHYGNU-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.28
Rot. Bonds1

About 4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane

4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane (PubChem CID 123596860) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane.

Molecular Properties

Compound Name4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane
PubChem CID123596860
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane
SMILESCCC1C2C1C1C3C4C(C)C(C)C4C3C21
InChIInChI=1S/C15H22/c1-4-7-10-11(7)15-13-9-6(3)5(2)8(9)12(13)14(10)15/h5-15H,4H2,1-3H3
InChIKeyKXSSIOQXFHYGNU-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Related Compounds

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2,4,6,7,9,11,13,15,16,28-decamethyldecacyclo[15.10.1.03,25.05,24.08,23.010,22.012,20.014,19.018,27.021,26]octacosane
CID 58453423
(1R,2R,3S,4S,4aS,4bR,5R,6R,7S,8S,8aR,9R,10S,10aS)-1,2,3,4,5,6,7,8,9,10-decamethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane?
The IUPAC name of 4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane (CID 123596860) is 4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane.
What is the SMILES notation for 4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane?
The canonical SMILES for 4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane is CCC1C2C1C1C3C4C(C)C(C)C4C3C21.
What is the InChIKey of 4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane?
The InChIKey is KXSSIOQXFHYGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-4-7-10-11(7)15-13-9-6(3)5(2)8(9)12(13)14(10)15/h5-15H,4H2,1-3H3.
What are the key properties of 4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane?
4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane has a molecular weight of 202.34 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane is sourced from PubChem (CID 123596860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).