1-(2-methylpropoxy)-4a,8a-dihydronaphthalene

C14H18O — CID 58190039

IUPAC1-(2-methylpropoxy)-4a,8a-dihydronaphthalene
SMILESCC(C)COC1=CC=CC2C=CC=CC12
InChIInChI=1S/C14H18O/c1-11(2)10-15-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11-13H,10H2,1-2H3
InChIKeyIOFJBSZJKNGDQD-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.47
Rot. Bonds3

About 1-(2-methylpropoxy)-4a,8a-dihydronaphthalene

1-(2-methylpropoxy)-4a,8a-dihydronaphthalene (PubChem CID 58190039) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-4a,8a-dihydronaphthalene.

Molecular Properties

Compound Name1-(2-methylpropoxy)-4a,8a-dihydronaphthalene
PubChem CID58190039
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-(2-methylpropoxy)-4a,8a-dihydronaphthalene
SMILESCC(C)COC1=CC=CC2C=CC=CC12
InChIInChI=1S/C14H18O/c1-11(2)10-15-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11-13H,10H2,1-2H3
InChIKeyIOFJBSZJKNGDQD-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-4a,8a-dihydronaphthalene?
The IUPAC name of 1-(2-methylpropoxy)-4a,8a-dihydronaphthalene (CID 58190039) is 1-(2-methylpropoxy)-4a,8a-dihydronaphthalene.
What is the SMILES notation for 1-(2-methylpropoxy)-4a,8a-dihydronaphthalene?
The canonical SMILES for 1-(2-methylpropoxy)-4a,8a-dihydronaphthalene is CC(C)COC1=CC=CC2C=CC=CC12.
What is the InChIKey of 1-(2-methylpropoxy)-4a,8a-dihydronaphthalene?
The InChIKey is IOFJBSZJKNGDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-11(2)10-15-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11-13H,10H2,1-2H3.
What are the key properties of 1-(2-methylpropoxy)-4a,8a-dihydronaphthalene?
1-(2-methylpropoxy)-4a,8a-dihydronaphthalene has a molecular weight of 202.30 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-4a,8a-dihydronaphthalene is sourced from PubChem (CID 58190039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).