3,8-dimethyl-4-prop-1-en-2-yl-1,2,3,3a,4,5,8,8a-octahydroazulene

C15H24 — CID 556206

IUPAC3,8-dimethyl-4-prop-1-en-2-yl-1,2,3,3a,4,5,8,8a-octahydroazulene
SMILESC=C(C)C1CC=CC(C)C2CCC(C)C12
InChIInChI=1S/C15H24/c1-10(2)13-7-5-6-11(3)14-9-8-12(4)15(13)14/h5-6,11-15H,1,7-9H2,2-4H3
InChIKeyZVFPFNUOFZWSOZ-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.44
Rot. Bonds1

About 3,8-dimethyl-4-prop-1-en-2-yl-1,2,3,3a,4,5,8,8a-octahydroazulene

3,8-dimethyl-4-prop-1-en-2-yl-1,2,3,3a,4,5,8,8a-octahydroazulene (PubChem CID 556206) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 3,8-dimethyl-4-prop-1-en-2-yl-1,2,3,3a,4,5,8,8a-octahydroazulene.

Molecular Properties

Compound Name3,8-dimethyl-4-prop-1-en-2-yl-1,2,3,3a,4,5,8,8a-octahydroazulene
PubChem CID556206
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name3,8-dimethyl-4-prop-1-en-2-yl-1,2,3,3a,4,5,8,8a-octahydroazulene
SMILESC=C(C)C1CC=CC(C)C2CCC(C)C12
InChIInChI=1S/C15H24/c1-10(2)13-7-5-6-11(3)14-9-8-12(4)15(13)14/h5-6,11-15H,1,7-9H2,2-4H3
InChIKeyZVFPFNUOFZWSOZ-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
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 3,8-dimethyl-4-prop-1-en-2-yl-1,2,3,3a,4,5,8,8a-octahydroazulene?
The IUPAC name of 3,8-dimethyl-4-prop-1-en-2-yl-1,2,3,3a,4,5,8,8a-octahydroazulene (CID 556206) is 3,8-dimethyl-4-prop-1-en-2-yl-1,2,3,3a,4,5,8,8a-octahydroazulene.
What is the SMILES notation for 3,8-dimethyl-4-prop-1-en-2-yl-1,2,3,3a,4,5,8,8a-octahydroazulene?
The canonical SMILES for 3,8-dimethyl-4-prop-1-en-2-yl-1,2,3,3a,4,5,8,8a-octahydroazulene is C=C(C)C1CC=CC(C)C2CCC(C)C12.
What is the InChIKey of 3,8-dimethyl-4-prop-1-en-2-yl-1,2,3,3a,4,5,8,8a-octahydroazulene?
The InChIKey is ZVFPFNUOFZWSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-10(2)13-7-5-6-11(3)14-9-8-12(4)15(13)14/h5-6,11-15H,1,7-9H2,2-4H3.
What are the key properties of 3,8-dimethyl-4-prop-1-en-2-yl-1,2,3,3a,4,5,8,8a-octahydroazulene?
3,8-dimethyl-4-prop-1-en-2-yl-1,2,3,3a,4,5,8,8a-octahydroazulene has a molecular weight of 204.36 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-4-prop-1-en-2-yl-1,2,3,3a,4,5,8,8a-octahydroazulene is sourced from PubChem (CID 556206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).