4,11-dimethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane;ethane;prop-1-ene

C20H34 — CID 145357305

IUPAC4,11-dimethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane;ethane;prop-1-ene
SMILESC=CC.CC.CC1CC2C1C1CC3C4CC(C)C4C3C21
InChIInChI=1S/C15H22.C3H6.C2H6/c1-6-4-10-12(6)11-5-9-8-3-7(2)13(8)15(9)14(10)11;1-3-2;1-2/h6-15H,3-5H2,1-2H3;3H,1H2,2H3;1-2H3
InChIKeyPZMJGMYKZBGHPK-UHFFFAOYSA-N
MW274.49 g/mol
LogP5.64
Rot. Bonds

About 4,11-dimethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane;ethane;prop-1-ene

4,11-dimethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane;ethane;prop-1-ene (PubChem CID 145357305) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 4,11-dimethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane;ethane;prop-1-ene.

Molecular Properties

Compound Name4,11-dimethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane;ethane;prop-1-ene
PubChem CID145357305
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name4,11-dimethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane;ethane;prop-1-ene
SMILESC=CC.CC.CC1CC2C1C1CC3C4CC(C)C4C3C21
InChIInChI=1S/C15H22.C3H6.C2H6/c1-6-4-10-12(6)11-5-9-8-3-7(2)13(8)15(9)14(10)11;1-3-2;1-2/h6-15H,3-5H2,1-2H3;3H,1H2,2H3;1-2H3
InChIKeyPZMJGMYKZBGHPK-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,11-dimethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane;ethane;prop-1-ene with MolForge

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Related Compounds

3,6-dimethyltricyclo[3.3.0.02,8]octane
CID 123298522
4,5,11,12-tetramethylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane
CID 23600006
6-ethyl-8-methyltricyclo[3.3.0.02,4]octane
CID 123992572
(6R)-pentacyclo[5.4.0.02,6.03,5.08,10]undecane
CID 163852923
ethane;tetrakis(prop-1-ene)
CID 90918926
ethane;bis(prop-1-ene)
CID 91426438
4,8,12,14-tetramethyl-5-propan-2-ylpentacyclo[8.6.0.02,9.03,6.013,16]hexadecane
CID 123539722
1,6,12,17-tetramethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 54386757
2-methyl-5-propan-2-ylbicyclo[2.1.0]pentane
CID 91265668
(1R,2S,3R,4S,6R,7S,8S)-tetracyclo[4.3.0.02,4.03,7]nonan-8-ol
CID 98503863
ethane;2-methyloxirane;prop-1-ene
CID 159933828
3,5-dimethyl-8-propyltricyclo[5.2.1.02,6]decane;ethoxyethane;prop-1-ene
CID 142377230

Frequently Asked Questions

What is the IUPAC name of 4,11-dimethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane;ethane;prop-1-ene?
The IUPAC name of 4,11-dimethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane;ethane;prop-1-ene (CID 145357305) is 4,11-dimethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane;ethane;prop-1-ene.
What is the SMILES notation for 4,11-dimethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane;ethane;prop-1-ene?
The canonical SMILES for 4,11-dimethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane;ethane;prop-1-ene is C=CC.CC.CC1CC2C1C1CC3C4CC(C)C4C3C21.
What is the InChIKey of 4,11-dimethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane;ethane;prop-1-ene?
The InChIKey is PZMJGMYKZBGHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22.C3H6.C2H6/c1-6-4-10-12(6)11-5-9-8-3-7(2)13(8)15(9)14(10)11;1-3-2;1-2/h6-15H,3-5H2,1-2H3;3H,1H2,2H3;1-2H3.
What are the key properties of 4,11-dimethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane;ethane;prop-1-ene?
4,11-dimethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane;ethane;prop-1-ene has a molecular weight of 274.49 g/mol, XLogP of 5.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-dimethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane;ethane;prop-1-ene is sourced from PubChem (CID 145357305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).