5,5,7,9b-tetramethyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]naphthalene

C17H24 — CID 139746549

IUPAC5,5,7,9b-tetramethyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]naphthalene
SMILESCc1ccc2c(c1)C(C)(C)CC1CCCC21C
InChIInChI=1S/C17H24/c1-12-7-8-14-15(10-12)16(2,3)11-13-6-5-9-17(13,14)4/h7-8,10,13H,5-6,9,11H2,1-4H3
InChIKeyWEVQQZABCYPNCQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.73
Rot. Bonds

About 5,5,7,9b-tetramethyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]naphthalene

5,5,7,9b-tetramethyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]naphthalene (PubChem CID 139746549) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 5,5,7,9b-tetramethyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]naphthalene.

Molecular Properties

Compound Name5,5,7,9b-tetramethyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]naphthalene
PubChem CID139746549
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name5,5,7,9b-tetramethyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]naphthalene
SMILESCc1ccc2c(c1)C(C)(C)CC1CCCC21C
InChIInChI=1S/C17H24/c1-12-7-8-14-15(10-12)16(2,3)11-13-6-5-9-17(13,14)4/h7-8,10,13H,5-6,9,11H2,1-4H3
InChIKeyWEVQQZABCYPNCQ-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,5,7,9b-tetramethyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]naphthalene?
The IUPAC name of 5,5,7,9b-tetramethyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]naphthalene (CID 139746549) is 5,5,7,9b-tetramethyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]naphthalene.
What is the SMILES notation for 5,5,7,9b-tetramethyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]naphthalene?
The canonical SMILES for 5,5,7,9b-tetramethyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]naphthalene is Cc1ccc2c(c1)C(C)(C)CC1CCCC21C.
What is the InChIKey of 5,5,7,9b-tetramethyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]naphthalene?
The InChIKey is WEVQQZABCYPNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-12-7-8-14-15(10-12)16(2,3)11-13-6-5-9-17(13,14)4/h7-8,10,13H,5-6,9,11H2,1-4H3.
What are the key properties of 5,5,7,9b-tetramethyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]naphthalene?
5,5,7,9b-tetramethyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]naphthalene has a molecular weight of 228.38 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7,9b-tetramethyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]naphthalene is sourced from PubChem (CID 139746549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).