3,4-dimethyl-5-methylidenehexacyclo[8.7.0.02,8.03,6.011,17.013,16]heptadec-13-ene

C20H26 — CID 123559285

IUPAC3,4-dimethyl-5-methylidenehexacyclo[8.7.0.02,8.03,6.011,17.013,16]heptadec-13-ene
SMILESC=C1C(C)C2(C)C1CC1CC3C4CC5=CCC5C4C3C12
InChIInChI=1S/C20H26/c1-9-10(2)20(3)16(9)8-12-7-15-14-6-11-4-5-13(11)17(14)18(15)19(12)20/h4,10,12-19H,1,5-8H2,2-3H3
InChIKeyXKGONAIUSQIPGD-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.68
Rot. Bonds

About 3,4-dimethyl-5-methylidenehexacyclo[8.7.0.02,8.03,6.011,17.013,16]heptadec-13-ene

3,4-dimethyl-5-methylidenehexacyclo[8.7.0.02,8.03,6.011,17.013,16]heptadec-13-ene (PubChem CID 123559285) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 3,4-dimethyl-5-methylidenehexacyclo[8.7.0.02,8.03,6.011,17.013,16]heptadec-13-ene.

Molecular Properties

Compound Name3,4-dimethyl-5-methylidenehexacyclo[8.7.0.02,8.03,6.011,17.013,16]heptadec-13-ene
PubChem CID123559285
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name3,4-dimethyl-5-methylidenehexacyclo[8.7.0.02,8.03,6.011,17.013,16]heptadec-13-ene
SMILESC=C1C(C)C2(C)C1CC1CC3C4CC5=CCC5C4C3C12
InChIInChI=1S/C20H26/c1-9-10(2)20(3)16(9)8-12-7-15-14-6-11-4-5-13(11)17(14)18(15)19(12)20/h4,10,12-19H,1,5-8H2,2-3H3
InChIKeyXKGONAIUSQIPGD-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-methylidenehexacyclo[8.7.0.02,8.03,6.011,17.013,16]heptadec-13-ene?
The IUPAC name of 3,4-dimethyl-5-methylidenehexacyclo[8.7.0.02,8.03,6.011,17.013,16]heptadec-13-ene (CID 123559285) is 3,4-dimethyl-5-methylidenehexacyclo[8.7.0.02,8.03,6.011,17.013,16]heptadec-13-ene.
What is the SMILES notation for 3,4-dimethyl-5-methylidenehexacyclo[8.7.0.02,8.03,6.011,17.013,16]heptadec-13-ene?
The canonical SMILES for 3,4-dimethyl-5-methylidenehexacyclo[8.7.0.02,8.03,6.011,17.013,16]heptadec-13-ene is C=C1C(C)C2(C)C1CC1CC3C4CC5=CCC5C4C3C12.
What is the InChIKey of 3,4-dimethyl-5-methylidenehexacyclo[8.7.0.02,8.03,6.011,17.013,16]heptadec-13-ene?
The InChIKey is XKGONAIUSQIPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-9-10(2)20(3)16(9)8-12-7-15-14-6-11-4-5-13(11)17(14)18(15)19(12)20/h4,10,12-19H,1,5-8H2,2-3H3.
What are the key properties of 3,4-dimethyl-5-methylidenehexacyclo[8.7.0.02,8.03,6.011,17.013,16]heptadec-13-ene?
3,4-dimethyl-5-methylidenehexacyclo[8.7.0.02,8.03,6.011,17.013,16]heptadec-13-ene has a molecular weight of 266.43 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-methylidenehexacyclo[8.7.0.02,8.03,6.011,17.013,16]heptadec-13-ene is sourced from PubChem (CID 123559285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).