2,4,6,8-tetramethylazulene

C14H16 — CID 638089

IUPAC2,4,6,8-tetramethylazulene
SMILESCc1cc(C)c2cc(C)cc-2c(C)c1
InChIInChI=1S/C14H16/c1-9-5-11(3)13-7-10(2)8-14(13)12(4)6-9/h5-8H,1-4H3
InChIKeyPCNXCKDWPBNUET-UHFFFAOYSA-N
MW184.28 g/mol
LogP4.03
Rot. Bonds

About 2,4,6,8-tetramethylazulene

2,4,6,8-tetramethylazulene (PubChem CID 638089) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2,4,6,8-tetramethylazulene.

Molecular Properties

Compound Name2,4,6,8-tetramethylazulene
PubChem CID638089
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name2,4,6,8-tetramethylazulene
SMILESCc1cc(C)c2cc(C)cc-2c(C)c1
InChIInChI=1S/C14H16/c1-9-5-11(3)13-7-10(2)8-14(13)12(4)6-9/h5-8H,1-4H3
InChIKeyPCNXCKDWPBNUET-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,8-tetramethylazulene?
The IUPAC name of 2,4,6,8-tetramethylazulene (CID 638089) is 2,4,6,8-tetramethylazulene.
What is the SMILES notation for 2,4,6,8-tetramethylazulene?
The canonical SMILES for 2,4,6,8-tetramethylazulene is Cc1cc(C)c2cc(C)cc-2c(C)c1.
What is the InChIKey of 2,4,6,8-tetramethylazulene?
The InChIKey is PCNXCKDWPBNUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-9-5-11(3)13-7-10(2)8-14(13)12(4)6-9/h5-8H,1-4H3.
What are the key properties of 2,4,6,8-tetramethylazulene?
2,4,6,8-tetramethylazulene has a molecular weight of 184.28 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8-tetramethylazulene is sourced from PubChem (CID 638089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).