2-methyl-1,2,3,5,6,7-hexahydroazulene

C11H16 — CID 142052092

IUPAC2-methyl-1,2,3,5,6,7-hexahydroazulene
SMILESCC1CC2=CCCCC=C2C1
InChIInChI=1S/C11H16/c1-9-7-10-5-3-2-4-6-11(10)8-9/h5-6,9H,2-4,7-8H2,1H3
InChIKeyYUYFTGMPZIWFOB-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.45
Rot. Bonds

About 2-methyl-1,2,3,5,6,7-hexahydroazulene

2-methyl-1,2,3,5,6,7-hexahydroazulene (PubChem CID 142052092) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 2-methyl-1,2,3,5,6,7-hexahydroazulene.

Molecular Properties

Compound Name2-methyl-1,2,3,5,6,7-hexahydroazulene
PubChem CID142052092
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name2-methyl-1,2,3,5,6,7-hexahydroazulene
SMILESCC1CC2=CCCCC=C2C1
InChIInChI=1S/C11H16/c1-9-7-10-5-3-2-4-6-11(10)8-9/h5-6,9H,2-4,7-8H2,1H3
InChIKeyYUYFTGMPZIWFOB-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3,5,6,7-hexahydroazulene?
The IUPAC name of 2-methyl-1,2,3,5,6,7-hexahydroazulene (CID 142052092) is 2-methyl-1,2,3,5,6,7-hexahydroazulene.
What is the SMILES notation for 2-methyl-1,2,3,5,6,7-hexahydroazulene?
The canonical SMILES for 2-methyl-1,2,3,5,6,7-hexahydroazulene is CC1CC2=CCCCC=C2C1.
What is the InChIKey of 2-methyl-1,2,3,5,6,7-hexahydroazulene?
The InChIKey is YUYFTGMPZIWFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-9-7-10-5-3-2-4-6-11(10)8-9/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 2-methyl-1,2,3,5,6,7-hexahydroazulene?
2-methyl-1,2,3,5,6,7-hexahydroazulene has a molecular weight of 148.25 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,5,6,7-hexahydroazulene is sourced from PubChem (CID 142052092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).