1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,8-hexahydroazulene

C15H24 — CID 527113

IUPAC1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,8-hexahydroazulene
SMILESCC(C)C1=CCC(C)C2=C(C1)C(C)CC2
InChIInChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h7,10-12H,5-6,8-9H2,1-4H3
InChIKeyIFJYSOWCCJPUJS-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds1

About 1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,8-hexahydroazulene

1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,8-hexahydroazulene (PubChem CID 527113) 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-1,2,3,4,5,8-hexahydroazulene.

Molecular Properties

Compound Name1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,8-hexahydroazulene
PubChem CID527113
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,8-hexahydroazulene
SMILESCC(C)C1=CCC(C)C2=C(C1)C(C)CC2
InChIInChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h7,10-12H,5-6,8-9H2,1-4H3
InChIKeyIFJYSOWCCJPUJS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,8-hexahydroazulene?
The IUPAC name of 1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,8-hexahydroazulene (CID 527113) is 1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,8-hexahydroazulene.
What is the SMILES notation for 1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,8-hexahydroazulene?
The canonical SMILES for 1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,8-hexahydroazulene is CC(C)C1=CCC(C)C2=C(C1)C(C)CC2.
What is the InChIKey of 1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,8-hexahydroazulene?
The InChIKey is IFJYSOWCCJPUJS-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/h7,10-12H,5-6,8-9H2,1-4H3.
What are the key properties of 1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,8-hexahydroazulene?
1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,8-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-1,2,3,4,5,8-hexahydroazulene is sourced from PubChem (CID 527113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).