2-[2-(cyclopenten-1-yl)-1,2,3,3-tetramethylcyclooctyl]oxocane

C24H42O — CID 175468869

IUPAC2-[2-(cyclopenten-1-yl)-1,2,3,3-tetramethylcyclooctyl]oxocane
SMILESCC1(C)CCCCCC(C)(C2CCCCCCO2)C1(C)C1=CCCC1
InChIInChI=1S/C24H42O/c1-22(2)17-11-7-12-18-23(3,21-16-8-5-6-13-19-25-21)24(22,4)20-14-9-10-15-20/h14,21H,5-13,15-19H2,1-4H3
InChIKeyDHNCRXLKHKWEEJ-UHFFFAOYSA-N
MW346.60 g/mol
LogP7.45
Rot. Bonds2

About 2-[2-(cyclopenten-1-yl)-1,2,3,3-tetramethylcyclooctyl]oxocane

2-[2-(cyclopenten-1-yl)-1,2,3,3-tetramethylcyclooctyl]oxocane (PubChem CID 175468869) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is 2-[2-(cyclopenten-1-yl)-1,2,3,3-tetramethylcyclooctyl]oxocane.

Molecular Properties

Compound Name2-[2-(cyclopenten-1-yl)-1,2,3,3-tetramethylcyclooctyl]oxocane
PubChem CID175468869
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name2-[2-(cyclopenten-1-yl)-1,2,3,3-tetramethylcyclooctyl]oxocane
SMILESCC1(C)CCCCCC(C)(C2CCCCCCO2)C1(C)C1=CCCC1
InChIInChI=1S/C24H42O/c1-22(2)17-11-7-12-18-23(3,21-16-8-5-6-13-19-25-21)24(22,4)20-14-9-10-15-20/h14,21H,5-13,15-19H2,1-4H3
InChIKeyDHNCRXLKHKWEEJ-UHFFFAOYSA-N
XLogP7.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[2-(cyclopenten-1-yl)-1,2,3,3-tetramethylcyclooctyl]oxocane?
The IUPAC name of 2-[2-(cyclopenten-1-yl)-1,2,3,3-tetramethylcyclooctyl]oxocane (CID 175468869) is 2-[2-(cyclopenten-1-yl)-1,2,3,3-tetramethylcyclooctyl]oxocane.
What is the SMILES notation for 2-[2-(cyclopenten-1-yl)-1,2,3,3-tetramethylcyclooctyl]oxocane?
The canonical SMILES for 2-[2-(cyclopenten-1-yl)-1,2,3,3-tetramethylcyclooctyl]oxocane is CC1(C)CCCCCC(C)(C2CCCCCCO2)C1(C)C1=CCCC1.
What is the InChIKey of 2-[2-(cyclopenten-1-yl)-1,2,3,3-tetramethylcyclooctyl]oxocane?
The InChIKey is DHNCRXLKHKWEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O/c1-22(2)17-11-7-12-18-23(3,21-16-8-5-6-13-19-25-21)24(22,4)20-14-9-10-15-20/h14,21H,5-13,15-19H2,1-4H3.
What are the key properties of 2-[2-(cyclopenten-1-yl)-1,2,3,3-tetramethylcyclooctyl]oxocane?
2-[2-(cyclopenten-1-yl)-1,2,3,3-tetramethylcyclooctyl]oxocane has a molecular weight of 346.60 g/mol, XLogP of 7.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopenten-1-yl)-1,2,3,3-tetramethylcyclooctyl]oxocane is sourced from PubChem (CID 175468869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).