1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene

C13H18 — CID 529436

IUPAC1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCc1cc(C)c2c(c1)C(C)CCC2
InChIInChI=1S/C13H18/c1-9-7-11(3)12-6-4-5-10(2)13(12)8-9/h7-8,10H,4-6H2,1-3H3
InChIKeyVJFBUCVRMBYHAH-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.74
Rot. Bonds

About 1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene

1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 529436) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene
PubChem CID529436
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCc1cc(C)c2c(c1)C(C)CCC2
InChIInChI=1S/C13H18/c1-9-7-11(3)12-6-4-5-10(2)13(12)8-9/h7-8,10H,4-6H2,1-3H3
InChIKeyVJFBUCVRMBYHAH-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene (CID 529436) is 1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene is Cc1cc(C)c2c(c1)C(C)CCC2.
What is the InChIKey of 1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is VJFBUCVRMBYHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-9-7-11(3)12-6-4-5-10(2)13(12)8-9/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene?
1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 174.29 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 529436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).