3,6,9-trimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[a]naphthalene

C18H22 — CID 144614767

IUPAC3,6,9-trimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[a]naphthalene
SMILESCc1ccc2c(c1)CC(C)C1=C2C=CC(C)CC1
InChIInChI=1S/C18H22/c1-12-4-7-16-14(3)11-15-10-13(2)6-8-17(15)18(16)9-5-12/h5-6,8-10,12,14H,4,7,11H2,1-3H3
InChIKeyWMFJSTUNGARWJV-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.93
Rot. Bonds

About 3,6,9-trimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[a]naphthalene

3,6,9-trimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[a]naphthalene (PubChem CID 144614767) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 3,6,9-trimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[a]naphthalene.

Molecular Properties

Compound Name3,6,9-trimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[a]naphthalene
PubChem CID144614767
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name3,6,9-trimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[a]naphthalene
SMILESCc1ccc2c(c1)CC(C)C1=C2C=CC(C)CC1
InChIInChI=1S/C18H22/c1-12-4-7-16-14(3)11-15-10-13(2)6-8-17(15)18(16)9-5-12/h5-6,8-10,12,14H,4,7,11H2,1-3H3
InChIKeyWMFJSTUNGARWJV-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,6,9-trimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[a]naphthalene?
The IUPAC name of 3,6,9-trimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[a]naphthalene (CID 144614767) is 3,6,9-trimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[a]naphthalene.
What is the SMILES notation for 3,6,9-trimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[a]naphthalene?
The canonical SMILES for 3,6,9-trimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[a]naphthalene is Cc1ccc2c(c1)CC(C)C1=C2C=CC(C)CC1.
What is the InChIKey of 3,6,9-trimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[a]naphthalene?
The InChIKey is WMFJSTUNGARWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-12-4-7-16-14(3)11-15-10-13(2)6-8-17(15)18(16)9-5-12/h5-6,8-10,12,14H,4,7,11H2,1-3H3.
What are the key properties of 3,6,9-trimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[a]naphthalene?
3,6,9-trimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[a]naphthalene has a molecular weight of 238.37 g/mol, XLogP of 4.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,9-trimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[a]naphthalene is sourced from PubChem (CID 144614767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).