ethane;4-methyloxepane;4-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yloxolane;3-propan-2-yloxolane

C58H131NO6 — CID 172563860

IUPACethane;4-methyloxepane;4-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yloxolane;3-propan-2-yloxolane
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCO1.CC(C)C1CCCOC1.CC(C)C1CCOC1.CC(C)C1CCOCC1.CC(C)N1CCOCC1.CC1CCCOCC1
InChIInChI=1S/2C8H16O.C7H15NO.3C7H14O.7C2H6/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-7-3-2-5-8-6-4-7;7*1-2/h2*7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3;7H,2-6H2,1H3;7*1-2H3
InChIKeyUKHPWPOVCSMKKM-UHFFFAOYSA-N
MW938.69 g/mol
LogP17.37
Rot. Bonds5

About ethane;4-methyloxepane;4-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yloxolane;3-propan-2-yloxolane

ethane;4-methyloxepane;4-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yloxolane;3-propan-2-yloxolane (PubChem CID 172563860) has the molecular formula C58H131NO6 and a molecular weight of 938.69 g/mol. Its IUPAC name is ethane;4-methyloxepane;4-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yloxolane;3-propan-2-yloxolane.

Molecular Properties

Compound Nameethane;4-methyloxepane;4-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yloxolane;3-propan-2-yloxolane
PubChem CID172563860
Molecular FormulaC58H131NO6
Molecular Weight938.69 g/mol
Exact Mass938.00
IUPAC Nameethane;4-methyloxepane;4-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yloxolane;3-propan-2-yloxolane
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCO1.CC(C)C1CCCOC1.CC(C)C1CCOC1.CC(C)C1CCOCC1.CC(C)N1CCOCC1.CC1CCCOCC1
InChIInChI=1S/2C8H16O.C7H15NO.3C7H14O.7C2H6/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-7-3-2-5-8-6-4-7;7*1-2/h2*7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3;7H,2-6H2,1H3;7*1-2H3
InChIKeyUKHPWPOVCSMKKM-UHFFFAOYSA-N
XLogP17.37
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.69
LogP ≤ 517.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethane;4-methyloxepane;4-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yloxolane;3-propan-2-yloxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyloxepane;4-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yloxolane;3-propan-2-yloxolane?
The IUPAC name of ethane;4-methyloxepane;4-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yloxolane;3-propan-2-yloxolane (CID 172563860) is ethane;4-methyloxepane;4-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yloxolane;3-propan-2-yloxolane.
What is the SMILES notation for ethane;4-methyloxepane;4-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yloxolane;3-propan-2-yloxolane?
The canonical SMILES for ethane;4-methyloxepane;4-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yloxolane;3-propan-2-yloxolane is CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCO1.CC(C)C1CCCOC1.CC(C)C1CCOC1.CC(C)C1CCOCC1.CC(C)N1CCOCC1.CC1CCCOCC1.
What is the InChIKey of ethane;4-methyloxepane;4-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yloxolane;3-propan-2-yloxolane?
The InChIKey is UKHPWPOVCSMKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16O.C7H15NO.3C7H14O.7C2H6/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-7-3-2-5-8-6-4-7;7*1-2/h2*7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3;7H,2-6H2,1H3;7*1-2H3.
What are the key properties of ethane;4-methyloxepane;4-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yloxolane;3-propan-2-yloxolane?
ethane;4-methyloxepane;4-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yloxolane;3-propan-2-yloxolane has a molecular weight of 938.69 g/mol, XLogP of 17.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyloxepane;4-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yloxolane;3-propan-2-yloxolane is sourced from PubChem (CID 172563860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).