1,2,3,4,4,5,5,6,6-nonamethyl-1H-pentalene

C17H28 — CID 20782773

IUPAC1,2,3,4,4,5,5,6,6-nonamethyl-1H-pentalene
SMILESCC1=C(C)C(C)C2=C1C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C17H28/c1-10-11(2)13-14(12(10)3)16(6,7)17(8,9)15(13,4)5/h11H,1-9H3
InChIKeyMONHRIMKGVADDA-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.36
Rot. Bonds

About 1,2,3,4,4,5,5,6,6-nonamethyl-1H-pentalene

1,2,3,4,4,5,5,6,6-nonamethyl-1H-pentalene (PubChem CID 20782773) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 1,2,3,4,4,5,5,6,6-nonamethyl-1H-pentalene.

Molecular Properties

Compound Name1,2,3,4,4,5,5,6,6-nonamethyl-1H-pentalene
PubChem CID20782773
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name1,2,3,4,4,5,5,6,6-nonamethyl-1H-pentalene
SMILESCC1=C(C)C(C)C2=C1C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C17H28/c1-10-11(2)13-14(12(10)3)16(6,7)17(8,9)15(13,4)5/h11H,1-9H3
InChIKeyMONHRIMKGVADDA-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4,5,5,6,6-nonamethyl-1H-pentalene?
The IUPAC name of 1,2,3,4,4,5,5,6,6-nonamethyl-1H-pentalene (CID 20782773) is 1,2,3,4,4,5,5,6,6-nonamethyl-1H-pentalene.
What is the SMILES notation for 1,2,3,4,4,5,5,6,6-nonamethyl-1H-pentalene?
The canonical SMILES for 1,2,3,4,4,5,5,6,6-nonamethyl-1H-pentalene is CC1=C(C)C(C)C2=C1C(C)(C)C(C)(C)C2(C)C.
What is the InChIKey of 1,2,3,4,4,5,5,6,6-nonamethyl-1H-pentalene?
The InChIKey is MONHRIMKGVADDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-10-11(2)13-14(12(10)3)16(6,7)17(8,9)15(13,4)5/h11H,1-9H3.
What are the key properties of 1,2,3,4,4,5,5,6,6-nonamethyl-1H-pentalene?
1,2,3,4,4,5,5,6,6-nonamethyl-1H-pentalene has a molecular weight of 232.41 g/mol, XLogP of 5.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4,5,5,6,6-nonamethyl-1H-pentalene is sourced from PubChem (CID 20782773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).