5,5,8,11,11-pentamethyl-9H-cyclohepta[b]naphthalene

C20H22 — CID 143535689

IUPAC5,5,8,11,11-pentamethyl-9H-cyclohepta[b]naphthalene
SMILESCC1=CC=C2C(=CC1)C(C)(C)C1=C(C=C=C=C1)C2(C)C
InChIInChI=1S/C20H22/c1-14-10-12-17-18(13-11-14)20(4,5)16-9-7-6-8-15(16)19(17,2)3/h8-10,12-13H,11H2,1-5H3
InChIKeyBJWSORWRRHIMCT-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.43
Rot. Bonds

About 5,5,8,11,11-pentamethyl-9H-cyclohepta[b]naphthalene

5,5,8,11,11-pentamethyl-9H-cyclohepta[b]naphthalene (PubChem CID 143535689) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 5,5,8,11,11-pentamethyl-9H-cyclohepta[b]naphthalene.

Molecular Properties

Compound Name5,5,8,11,11-pentamethyl-9H-cyclohepta[b]naphthalene
PubChem CID143535689
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name5,5,8,11,11-pentamethyl-9H-cyclohepta[b]naphthalene
SMILESCC1=CC=C2C(=CC1)C(C)(C)C1=C(C=C=C=C1)C2(C)C
InChIInChI=1S/C20H22/c1-14-10-12-17-18(13-11-14)20(4,5)16-9-7-6-8-15(16)19(17,2)3/h8-10,12-13H,11H2,1-5H3
InChIKeyBJWSORWRRHIMCT-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,5,8,11,11-pentamethyl-9H-cyclohepta[b]naphthalene?
The IUPAC name of 5,5,8,11,11-pentamethyl-9H-cyclohepta[b]naphthalene (CID 143535689) is 5,5,8,11,11-pentamethyl-9H-cyclohepta[b]naphthalene.
What is the SMILES notation for 5,5,8,11,11-pentamethyl-9H-cyclohepta[b]naphthalene?
The canonical SMILES for 5,5,8,11,11-pentamethyl-9H-cyclohepta[b]naphthalene is CC1=CC=C2C(=CC1)C(C)(C)C1=C(C=C=C=C1)C2(C)C.
What is the InChIKey of 5,5,8,11,11-pentamethyl-9H-cyclohepta[b]naphthalene?
The InChIKey is BJWSORWRRHIMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-14-10-12-17-18(13-11-14)20(4,5)16-9-7-6-8-15(16)19(17,2)3/h8-10,12-13H,11H2,1-5H3.
What are the key properties of 5,5,8,11,11-pentamethyl-9H-cyclohepta[b]naphthalene?
5,5,8,11,11-pentamethyl-9H-cyclohepta[b]naphthalene has a molecular weight of 262.40 g/mol, XLogP of 5.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,8,11,11-pentamethyl-9H-cyclohepta[b]naphthalene is sourced from PubChem (CID 143535689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).