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

C15H24 — CID 595385

IUPAC1,6-dimethyl-4-propan-2-yl-1,2,3,7,8,8a-hexahydronaphthalene
SMILESCC1=CC2=C(C(C)C)CCC(C)C2CC1
InChIInChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12,14H,5-8H2,1-4H3
InChIKeyFIAKMTRUEKZMNO-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds1

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

1,6-dimethyl-4-propan-2-yl-1,2,3,7,8,8a-hexahydronaphthalene (PubChem CID 595385) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1,6-dimethyl-4-propan-2-yl-1,2,3,7,8,8a-hexahydronaphthalene.

Molecular Properties

Compound Name1,6-dimethyl-4-propan-2-yl-1,2,3,7,8,8a-hexahydronaphthalene
PubChem CID595385
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1,6-dimethyl-4-propan-2-yl-1,2,3,7,8,8a-hexahydronaphthalene
SMILESCC1=CC2=C(C(C)C)CCC(C)C2CC1
InChIInChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12,14H,5-8H2,1-4H3
InChIKeyFIAKMTRUEKZMNO-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

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-propan-2-yl-1,2,3,7,8,8a-hexahydronaphthalene?
The IUPAC name of 1,6-dimethyl-4-propan-2-yl-1,2,3,7,8,8a-hexahydronaphthalene (CID 595385) is 1,6-dimethyl-4-propan-2-yl-1,2,3,7,8,8a-hexahydronaphthalene.
What is the SMILES notation for 1,6-dimethyl-4-propan-2-yl-1,2,3,7,8,8a-hexahydronaphthalene?
The canonical SMILES for 1,6-dimethyl-4-propan-2-yl-1,2,3,7,8,8a-hexahydronaphthalene is CC1=CC2=C(C(C)C)CCC(C)C2CC1.
What is the InChIKey of 1,6-dimethyl-4-propan-2-yl-1,2,3,7,8,8a-hexahydronaphthalene?
The InChIKey is FIAKMTRUEKZMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12,14H,5-8H2,1-4H3.
What are the key properties of 1,6-dimethyl-4-propan-2-yl-1,2,3,7,8,8a-hexahydronaphthalene?
1,6-dimethyl-4-propan-2-yl-1,2,3,7,8,8a-hexahydronaphthalene 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 1,6-dimethyl-4-propan-2-yl-1,2,3,7,8,8a-hexahydronaphthalene is sourced from PubChem (CID 595385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).