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

C13H22 — CID 12729210

IUPAC2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene
SMILESC1CCC2C(C1)CCC1CCCC12
InChIInChI=1S/C13H22/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12/h10-13H,1-9H2
InChIKeyDDBLMNQGXGUZOS-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.00
Rot. Bonds

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

2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene (PubChem CID 12729210) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene.

Molecular Properties

Compound Name2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene
PubChem CID12729210
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene
SMILESC1CCC2C(C1)CCC1CCCC12
InChIInChI=1S/C13H22/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12/h10-13H,1-9H2
InChIKeyDDBLMNQGXGUZOS-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Sterone-ring
CID 1108
Perhydrofluorene
CID 21972
Acenaphthylene, dodecahydro-
CID 102215
Perhydrofluoranthene
CID 282803
Estrane
CID 5460658
4,7-Ethano-1H-indene, octahydro-
CID 142242
1H-Indene, octahydro-5-methyl-
CID 565932
5beta-Estrane
CID 6857457
5alpha-Estrane
CID 6857465
Gonane
CID 6857523
5beta-Gonane
CID 6857524
5alpha-Gonane
CID 6857525

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene?
The IUPAC name of 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene (CID 12729210) is 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene.
What is the SMILES notation for 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene?
The canonical SMILES for 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene is C1CCC2C(C1)CCC1CCCC12.
What is the InChIKey of 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene?
The InChIKey is DDBLMNQGXGUZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12/h10-13H,1-9H2.
What are the key properties of 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene?
2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene has a molecular weight of 178.32 g/mol, XLogP of 4.00, 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,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene is sourced from PubChem (CID 12729210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).