2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[a]naphthalene

C13H20 — CID 171975338

IUPAC2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[a]naphthalene
SMILESC1CCC2CCC3CCCC3=C2C1
InChIInChI=1S/C13H20/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12/h10-11H,1-9H2
InChIKeyVKWCIYAOHBOOKT-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.07
Rot. Bonds

About 2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[a]naphthalene

2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[a]naphthalene (PubChem CID 171975338) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[a]naphthalene.

Molecular Properties

Compound Name2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[a]naphthalene
PubChem CID171975338
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[a]naphthalene
SMILESC1CCC2CCC3CCCC3=C2C1
InChIInChI=1S/C13H20/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12/h10-11H,1-9H2
InChIKeyVKWCIYAOHBOOKT-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[a]naphthalene?
The IUPAC name of 2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[a]naphthalene (CID 171975338) is 2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[a]naphthalene.
What is the SMILES notation for 2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[a]naphthalene?
The canonical SMILES for 2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[a]naphthalene is C1CCC2CCC3CCCC3=C2C1.
What is the InChIKey of 2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[a]naphthalene?
The InChIKey is VKWCIYAOHBOOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12/h10-11H,1-9H2.
What are the key properties of 2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[a]naphthalene?
2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[a]naphthalene has a molecular weight of 176.30 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[a]naphthalene is sourced from PubChem (CID 171975338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).