1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene

C15H24 — CID 15560254

IUPAC1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene
SMILESCC(C)C1=CC2=C(CCC2C)C(C)CC1
InChIInChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9-12H,5-8H2,1-4H3
InChIKeyYLPOFTFBOIPYLE-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds1

About 1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene

1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene (PubChem CID 15560254) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene.

Molecular Properties

Compound Name1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene
PubChem CID15560254
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene
SMILESCC(C)C1=CC2=C(CCC2C)C(C)CC1
InChIInChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9-12H,5-8H2,1-4H3
InChIKeyYLPOFTFBOIPYLE-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene?
The IUPAC name of 1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene (CID 15560254) is 1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene.
What is the SMILES notation for 1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene?
The canonical SMILES for 1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene is CC(C)C1=CC2=C(CCC2C)C(C)CC1.
What is the InChIKey of 1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene?
The InChIKey is YLPOFTFBOIPYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9-12H,5-8H2,1-4H3.
What are the key properties of 1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene?
1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene has a molecular weight of 204.36 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene is sourced from PubChem (CID 15560254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).