1,2,4,5,6,6a,7,8,9,9a-decahydrocyclopenta[d]oxocine

C10H18O — CID 57311611

IUPAC1,2,4,5,6,6a,7,8,9,9a-decahydrocyclopenta[d]oxocine
SMILESC1COCCC2CCCC2C1
InChIInChI=1S/C10H18O/c1-3-9-5-2-7-11-8-6-10(9)4-1/h9-10H,1-8H2
InChIKeyFCWRBORBHLBCIQ-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.60
Rot. Bonds

About 1,2,4,5,6,6a,7,8,9,9a-decahydrocyclopenta[d]oxocine

1,2,4,5,6,6a,7,8,9,9a-decahydrocyclopenta[d]oxocine (PubChem CID 57311611) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1,2,4,5,6,6a,7,8,9,9a-decahydrocyclopenta[d]oxocine.

Molecular Properties

Compound Name1,2,4,5,6,6a,7,8,9,9a-decahydrocyclopenta[d]oxocine
PubChem CID57311611
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1,2,4,5,6,6a,7,8,9,9a-decahydrocyclopenta[d]oxocine
SMILESC1COCCC2CCCC2C1
InChIInChI=1S/C10H18O/c1-3-9-5-2-7-11-8-6-10(9)4-1/h9-10H,1-8H2
InChIKeyFCWRBORBHLBCIQ-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2,4,5,6,6a,7,8,9,9a-decahydrocyclopenta[d]oxocine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5,6,6a,7,8,9,9a-decahydrocyclopenta[d]oxocine?
The IUPAC name of 1,2,4,5,6,6a,7,8,9,9a-decahydrocyclopenta[d]oxocine (CID 57311611) is 1,2,4,5,6,6a,7,8,9,9a-decahydrocyclopenta[d]oxocine.
What is the SMILES notation for 1,2,4,5,6,6a,7,8,9,9a-decahydrocyclopenta[d]oxocine?
The canonical SMILES for 1,2,4,5,6,6a,7,8,9,9a-decahydrocyclopenta[d]oxocine is C1COCCC2CCCC2C1.
What is the InChIKey of 1,2,4,5,6,6a,7,8,9,9a-decahydrocyclopenta[d]oxocine?
The InChIKey is FCWRBORBHLBCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-9-5-2-7-11-8-6-10(9)4-1/h9-10H,1-8H2.
What are the key properties of 1,2,4,5,6,6a,7,8,9,9a-decahydrocyclopenta[d]oxocine?
1,2,4,5,6,6a,7,8,9,9a-decahydrocyclopenta[d]oxocine has a molecular weight of 154.25 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5,6,6a,7,8,9,9a-decahydrocyclopenta[d]oxocine is sourced from PubChem (CID 57311611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).