1,2,3,4,5,6,7-heptamethylcyclohepta-1,3,5-triene

C14H22 — CID 11171498

IUPAC1,2,3,4,5,6,7-heptamethylcyclohepta-1,3,5-triene
SMILESCC1=C(C)C(C)=C(C)C(C)C(C)=C1C
InChIInChI=1S/C14H22/c1-8-9(2)11(4)13(6)14(7)12(5)10(8)3/h8H,1-7H3
InChIKeyOCVRYFQBRRRTSA-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.65
Rot. Bonds

About 1,2,3,4,5,6,7-heptamethylcyclohepta-1,3,5-triene

1,2,3,4,5,6,7-heptamethylcyclohepta-1,3,5-triene (PubChem CID 11171498) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1,2,3,4,5,6,7-heptamethylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name1,2,3,4,5,6,7-heptamethylcyclohepta-1,3,5-triene
PubChem CID11171498
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1,2,3,4,5,6,7-heptamethylcyclohepta-1,3,5-triene
SMILESCC1=C(C)C(C)=C(C)C(C)C(C)=C1C
InChIInChI=1S/C14H22/c1-8-9(2)11(4)13(6)14(7)12(5)10(8)3/h8H,1-7H3
InChIKeyOCVRYFQBRRRTSA-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7-heptamethylcyclohepta-1,3,5-triene?
The IUPAC name of 1,2,3,4,5,6,7-heptamethylcyclohepta-1,3,5-triene (CID 11171498) is 1,2,3,4,5,6,7-heptamethylcyclohepta-1,3,5-triene.
What is the SMILES notation for 1,2,3,4,5,6,7-heptamethylcyclohepta-1,3,5-triene?
The canonical SMILES for 1,2,3,4,5,6,7-heptamethylcyclohepta-1,3,5-triene is CC1=C(C)C(C)=C(C)C(C)C(C)=C1C.
What is the InChIKey of 1,2,3,4,5,6,7-heptamethylcyclohepta-1,3,5-triene?
The InChIKey is OCVRYFQBRRRTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-8-9(2)11(4)13(6)14(7)12(5)10(8)3/h8H,1-7H3.
What are the key properties of 1,2,3,4,5,6,7-heptamethylcyclohepta-1,3,5-triene?
1,2,3,4,5,6,7-heptamethylcyclohepta-1,3,5-triene has a molecular weight of 190.33 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7-heptamethylcyclohepta-1,3,5-triene is sourced from PubChem (CID 11171498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).