1,2,3,4,5,6-hexamethylpentalene

C14H18 — CID 101442088

IUPAC1,2,3,4,5,6-hexamethylpentalene
SMILESCC1=C(C)C2=C(C)C(C)=C(C)C2=C1C
InChIInChI=1S/C14H18/c1-7-9(3)13-11(5)8(2)12(6)14(13)10(7)4/h1-6H3
InChIKeyVNEACLJMGRLSEJ-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.32
Rot. Bonds

About 1,2,3,4,5,6-hexamethylpentalene

1,2,3,4,5,6-hexamethylpentalene (PubChem CID 101442088) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexamethylpentalene.

Molecular Properties

Compound Name1,2,3,4,5,6-hexamethylpentalene
PubChem CID101442088
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1,2,3,4,5,6-hexamethylpentalene
SMILESCC1=C(C)C2=C(C)C(C)=C(C)C2=C1C
InChIInChI=1S/C14H18/c1-7-9(3)13-11(5)8(2)12(6)14(13)10(7)4/h1-6H3
InChIKeyVNEACLJMGRLSEJ-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.32
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-hexamethylpentalene?
The IUPAC name of 1,2,3,4,5,6-hexamethylpentalene (CID 101442088) is 1,2,3,4,5,6-hexamethylpentalene.
What is the SMILES notation for 1,2,3,4,5,6-hexamethylpentalene?
The canonical SMILES for 1,2,3,4,5,6-hexamethylpentalene is CC1=C(C)C2=C(C)C(C)=C(C)C2=C1C.
What is the InChIKey of 1,2,3,4,5,6-hexamethylpentalene?
The InChIKey is VNEACLJMGRLSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-7-9(3)13-11(5)8(2)12(6)14(13)10(7)4/h1-6H3.
What are the key properties of 1,2,3,4,5,6-hexamethylpentalene?
1,2,3,4,5,6-hexamethylpentalene has a molecular weight of 186.30 g/mol, XLogP of 4.32, 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-hexamethylpentalene is sourced from PubChem (CID 101442088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).