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

C15H26 — CID 14619934

IUPAC3,8-dimethyl-5-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
SMILESCC1=CCC(C(C)C)C2CC(C)CCC12
InChIInChI=1S/C15H26/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,10-11,13-15H,5,7-9H2,1-4H3
InChIKeyKGBJOURASGCRPP-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.66
Rot. Bonds1

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

3,8-dimethyl-5-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene (PubChem CID 14619934) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 3,8-dimethyl-5-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene.

Molecular Properties

Compound Name3,8-dimethyl-5-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
PubChem CID14619934
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name3,8-dimethyl-5-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
SMILESCC1=CCC(C(C)C)C2CC(C)CCC12
InChIInChI=1S/C15H26/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,10-11,13-15H,5,7-9H2,1-4H3
InChIKeyKGBJOURASGCRPP-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.66
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-5-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
The IUPAC name of 3,8-dimethyl-5-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene (CID 14619934) is 3,8-dimethyl-5-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene.
What is the SMILES notation for 3,8-dimethyl-5-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
The canonical SMILES for 3,8-dimethyl-5-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene is CC1=CCC(C(C)C)C2CC(C)CCC12.
What is the InChIKey of 3,8-dimethyl-5-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
The InChIKey is KGBJOURASGCRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,10-11,13-15H,5,7-9H2,1-4H3.
What are the key properties of 3,8-dimethyl-5-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
3,8-dimethyl-5-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene has a molecular weight of 206.37 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-5-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene is sourced from PubChem (CID 14619934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).