1,1-bis(ethenoxymethyl)cyclodecane;bis(cyclodecane)

C36H68O2 — CID 66850804

IUPAC1,1-bis(ethenoxymethyl)cyclodecane;bis(cyclodecane)
SMILESC1CCCCCCCCC1.C1CCCCCCCCC1.C=COCC1(COC=C)CCCCCCCCC1
InChIInChI=1S/C16H28O2.2C10H20/c1-3-17-14-16(15-18-4-2)12-10-8-6-5-7-9-11-13-16;2*1-2-4-6-8-10-9-7-5-3-1/h3-4H,1-2,5-15H2;2*1-10H2
InChIKeyUTGOKYPPOVCYFW-UHFFFAOYSA-N
MW532.94 g/mol
LogP12.62
Rot. Bonds6

About 1,1-bis(ethenoxymethyl)cyclodecane;bis(cyclodecane)

1,1-bis(ethenoxymethyl)cyclodecane;bis(cyclodecane) (PubChem CID 66850804) has the molecular formula C36H68O2 and a molecular weight of 532.94 g/mol. Its IUPAC name is 1,1-bis(ethenoxymethyl)cyclodecane;bis(cyclodecane).

Molecular Properties

Compound Name1,1-bis(ethenoxymethyl)cyclodecane;bis(cyclodecane)
PubChem CID66850804
Molecular FormulaC36H68O2
Molecular Weight532.94 g/mol
Exact Mass532.52
IUPAC Name1,1-bis(ethenoxymethyl)cyclodecane;bis(cyclodecane)
SMILESC1CCCCCCCCC1.C1CCCCCCCCC1.C=COCC1(COC=C)CCCCCCCCC1
InChIInChI=1S/C16H28O2.2C10H20/c1-3-17-14-16(15-18-4-2)12-10-8-6-5-7-9-11-13-16;2*1-2-4-6-8-10-9-7-5-3-1/h3-4H,1-2,5-15H2;2*1-10H2
InChIKeyUTGOKYPPOVCYFW-UHFFFAOYSA-N
XLogP12.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.94
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(ethenoxymethyl)cyclodecane;bis(cyclodecane)?
The IUPAC name of 1,1-bis(ethenoxymethyl)cyclodecane;bis(cyclodecane) (CID 66850804) is 1,1-bis(ethenoxymethyl)cyclodecane;bis(cyclodecane).
What is the SMILES notation for 1,1-bis(ethenoxymethyl)cyclodecane;bis(cyclodecane)?
The canonical SMILES for 1,1-bis(ethenoxymethyl)cyclodecane;bis(cyclodecane) is C1CCCCCCCCC1.C1CCCCCCCCC1.C=COCC1(COC=C)CCCCCCCCC1.
What is the InChIKey of 1,1-bis(ethenoxymethyl)cyclodecane;bis(cyclodecane)?
The InChIKey is UTGOKYPPOVCYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2.2C10H20/c1-3-17-14-16(15-18-4-2)12-10-8-6-5-7-9-11-13-16;2*1-2-4-6-8-10-9-7-5-3-1/h3-4H,1-2,5-15H2;2*1-10H2.
What are the key properties of 1,1-bis(ethenoxymethyl)cyclodecane;bis(cyclodecane)?
1,1-bis(ethenoxymethyl)cyclodecane;bis(cyclodecane) has a molecular weight of 532.94 g/mol, XLogP of 12.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(ethenoxymethyl)cyclodecane;bis(cyclodecane) is sourced from PubChem (CID 66850804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).