2,5-dimethyl-8-propan-2-yl-1,2,8,8a-tetrahydronaphthalene

C15H22 — CID 593889

IUPAC2,5-dimethyl-8-propan-2-yl-1,2,8,8a-tetrahydronaphthalene
SMILESCC1=C2C=CC(C)CC2C(C(C)C)C=C1
InChIInChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-8,10-11,13,15H,9H2,1-4H3
InChIKeyGHOAKWKHPKLCNK-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.36
Rot. Bonds1

About 2,5-dimethyl-8-propan-2-yl-1,2,8,8a-tetrahydronaphthalene

2,5-dimethyl-8-propan-2-yl-1,2,8,8a-tetrahydronaphthalene (PubChem CID 593889) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2,5-dimethyl-8-propan-2-yl-1,2,8,8a-tetrahydronaphthalene.

Molecular Properties

Compound Name2,5-dimethyl-8-propan-2-yl-1,2,8,8a-tetrahydronaphthalene
PubChem CID593889
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name2,5-dimethyl-8-propan-2-yl-1,2,8,8a-tetrahydronaphthalene
SMILESCC1=C2C=CC(C)CC2C(C(C)C)C=C1
InChIInChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-8,10-11,13,15H,9H2,1-4H3
InChIKeyGHOAKWKHPKLCNK-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-8-propan-2-yl-1,2,8,8a-tetrahydronaphthalene?
The IUPAC name of 2,5-dimethyl-8-propan-2-yl-1,2,8,8a-tetrahydronaphthalene (CID 593889) is 2,5-dimethyl-8-propan-2-yl-1,2,8,8a-tetrahydronaphthalene.
What is the SMILES notation for 2,5-dimethyl-8-propan-2-yl-1,2,8,8a-tetrahydronaphthalene?
The canonical SMILES for 2,5-dimethyl-8-propan-2-yl-1,2,8,8a-tetrahydronaphthalene is CC1=C2C=CC(C)CC2C(C(C)C)C=C1.
What is the InChIKey of 2,5-dimethyl-8-propan-2-yl-1,2,8,8a-tetrahydronaphthalene?
The InChIKey is GHOAKWKHPKLCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-8,10-11,13,15H,9H2,1-4H3.
What are the key properties of 2,5-dimethyl-8-propan-2-yl-1,2,8,8a-tetrahydronaphthalene?
2,5-dimethyl-8-propan-2-yl-1,2,8,8a-tetrahydronaphthalene has a molecular weight of 202.34 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-8-propan-2-yl-1,2,8,8a-tetrahydronaphthalene is sourced from PubChem (CID 593889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).