1,4-dimethyl-7-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene

C15H28 — CID 15559598

IUPAC1,4-dimethyl-7-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
SMILESCC(C)C1CCC(C)C2CCC(C)C2C1
InChIInChI=1S/C15H28/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h10-15H,5-9H2,1-4H3
InChIKeyQAQCPAHQVOKALN-UHFFFAOYSA-N
MW208.39 g/mol
LogP4.74
Rot. Bonds1

About 1,4-dimethyl-7-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene

1,4-dimethyl-7-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene (PubChem CID 15559598) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1,4-dimethyl-7-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene.

Molecular Properties

Compound Name1,4-dimethyl-7-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
PubChem CID15559598
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1,4-dimethyl-7-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
SMILESCC(C)C1CCC(C)C2CCC(C)C2C1
InChIInChI=1S/C15H28/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h10-15H,5-9H2,1-4H3
InChIKeyQAQCPAHQVOKALN-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.74
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-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene?
The IUPAC name of 1,4-dimethyl-7-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene (CID 15559598) is 1,4-dimethyl-7-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene.
What is the SMILES notation for 1,4-dimethyl-7-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene?
The canonical SMILES for 1,4-dimethyl-7-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene is CC(C)C1CCC(C)C2CCC(C)C2C1.
What is the InChIKey of 1,4-dimethyl-7-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene?
The InChIKey is QAQCPAHQVOKALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h10-15H,5-9H2,1-4H3.
What are the key properties of 1,4-dimethyl-7-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene?
1,4-dimethyl-7-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene has a molecular weight of 208.39 g/mol, XLogP of 4.74, 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-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene is sourced from PubChem (CID 15559598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).