4-butyl-3-methyl-1,8a-dihydronaphthalene

C15H20 — CID 163785888

IUPAC4-butyl-3-methyl-1,8a-dihydronaphthalene
SMILESCCCCC1=C2C=CC=CC2CC=C1C
InChIInChI=1S/C15H20/c1-3-4-8-14-12(2)10-11-13-7-5-6-9-15(13)14/h5-7,9-10,13H,3-4,8,11H2,1-2H3
InChIKeyMSLUVCJCOHPRQK-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.57
Rot. Bonds3

About 4-butyl-3-methyl-1,8a-dihydronaphthalene

4-butyl-3-methyl-1,8a-dihydronaphthalene (PubChem CID 163785888) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 4-butyl-3-methyl-1,8a-dihydronaphthalene.

Molecular Properties

Compound Name4-butyl-3-methyl-1,8a-dihydronaphthalene
PubChem CID163785888
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name4-butyl-3-methyl-1,8a-dihydronaphthalene
SMILESCCCCC1=C2C=CC=CC2CC=C1C
InChIInChI=1S/C15H20/c1-3-4-8-14-12(2)10-11-13-7-5-6-9-15(13)14/h5-7,9-10,13H,3-4,8,11H2,1-2H3
InChIKeyMSLUVCJCOHPRQK-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-methyl-1,8a-dihydronaphthalene?
The IUPAC name of 4-butyl-3-methyl-1,8a-dihydronaphthalene (CID 163785888) is 4-butyl-3-methyl-1,8a-dihydronaphthalene.
What is the SMILES notation for 4-butyl-3-methyl-1,8a-dihydronaphthalene?
The canonical SMILES for 4-butyl-3-methyl-1,8a-dihydronaphthalene is CCCCC1=C2C=CC=CC2CC=C1C.
What is the InChIKey of 4-butyl-3-methyl-1,8a-dihydronaphthalene?
The InChIKey is MSLUVCJCOHPRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-3-4-8-14-12(2)10-11-13-7-5-6-9-15(13)14/h5-7,9-10,13H,3-4,8,11H2,1-2H3.
What are the key properties of 4-butyl-3-methyl-1,8a-dihydronaphthalene?
4-butyl-3-methyl-1,8a-dihydronaphthalene has a molecular weight of 200.32 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-methyl-1,8a-dihydronaphthalene is sourced from PubChem (CID 163785888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).