1,2,3-trimethyl-6,7,8,9-tetrahydro-1H-cyclopenta[a]naphthalene

C16H20 — CID 101062315

IUPAC1,2,3-trimethyl-6,7,8,9-tetrahydro-1H-cyclopenta[a]naphthalene
SMILESCC1=C(C)C(C)c2c1ccc1c2CCCC1
InChIInChI=1S/C16H20/c1-10-11(2)14-9-8-13-6-4-5-7-15(13)16(14)12(10)3/h8-9,12H,4-7H2,1-3H3
InChIKeyFSRINTGGEXRYBS-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.48
Rot. Bonds

About 1,2,3-trimethyl-6,7,8,9-tetrahydro-1H-cyclopenta[a]naphthalene

1,2,3-trimethyl-6,7,8,9-tetrahydro-1H-cyclopenta[a]naphthalene (PubChem CID 101062315) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1,2,3-trimethyl-6,7,8,9-tetrahydro-1H-cyclopenta[a]naphthalene.

Molecular Properties

Compound Name1,2,3-trimethyl-6,7,8,9-tetrahydro-1H-cyclopenta[a]naphthalene
PubChem CID101062315
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name1,2,3-trimethyl-6,7,8,9-tetrahydro-1H-cyclopenta[a]naphthalene
SMILESCC1=C(C)C(C)c2c1ccc1c2CCCC1
InChIInChI=1S/C16H20/c1-10-11(2)14-9-8-13-6-4-5-7-15(13)16(14)12(10)3/h8-9,12H,4-7H2,1-3H3
InChIKeyFSRINTGGEXRYBS-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-6,7,8,9-tetrahydro-1H-cyclopenta[a]naphthalene?
The IUPAC name of 1,2,3-trimethyl-6,7,8,9-tetrahydro-1H-cyclopenta[a]naphthalene (CID 101062315) is 1,2,3-trimethyl-6,7,8,9-tetrahydro-1H-cyclopenta[a]naphthalene.
What is the SMILES notation for 1,2,3-trimethyl-6,7,8,9-tetrahydro-1H-cyclopenta[a]naphthalene?
The canonical SMILES for 1,2,3-trimethyl-6,7,8,9-tetrahydro-1H-cyclopenta[a]naphthalene is CC1=C(C)C(C)c2c1ccc1c2CCCC1.
What is the InChIKey of 1,2,3-trimethyl-6,7,8,9-tetrahydro-1H-cyclopenta[a]naphthalene?
The InChIKey is FSRINTGGEXRYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-10-11(2)14-9-8-13-6-4-5-7-15(13)16(14)12(10)3/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 1,2,3-trimethyl-6,7,8,9-tetrahydro-1H-cyclopenta[a]naphthalene?
1,2,3-trimethyl-6,7,8,9-tetrahydro-1H-cyclopenta[a]naphthalene has a molecular weight of 212.34 g/mol, XLogP of 4.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-6,7,8,9-tetrahydro-1H-cyclopenta[a]naphthalene is sourced from PubChem (CID 101062315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).