ethane;9H-fluorene;methane;methoxyethane;propane

C30H60O2 — CID 159155851

IUPACethane;9H-fluorene;methane;methoxyethane;propane
SMILESC.C.CC.CC.CC.CCC.CCOC.CCOC.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.2C3H8O.C3H8.3C2H6.2CH4/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-3-4-2;1-3-2;3*1-2;;/h1-8H,9H2;2*3H2,1-2H3;3H2,1-2H3;3*1-2H3;2*1H4
InChIKeyKJWNMBBOSZAQNA-UHFFFAOYSA-N
MW452.81 g/mol
LogP10.33
Rot. Bonds2

About ethane;9H-fluorene;methane;methoxyethane;propane

ethane;9H-fluorene;methane;methoxyethane;propane (PubChem CID 159155851) has the molecular formula C30H60O2 and a molecular weight of 452.81 g/mol. Its IUPAC name is ethane;9H-fluorene;methane;methoxyethane;propane.

Molecular Properties

Compound Nameethane;9H-fluorene;methane;methoxyethane;propane
PubChem CID159155851
Molecular FormulaC30H60O2
Molecular Weight452.81 g/mol
Exact Mass452.46
IUPAC Nameethane;9H-fluorene;methane;methoxyethane;propane
SMILESC.C.CC.CC.CC.CCC.CCOC.CCOC.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.2C3H8O.C3H8.3C2H6.2CH4/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-3-4-2;1-3-2;3*1-2;;/h1-8H,9H2;2*3H2,1-2H3;3H2,1-2H3;3*1-2H3;2*1H4
InChIKeyKJWNMBBOSZAQNA-UHFFFAOYSA-N
XLogP10.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.81
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 158815702
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CID 172860190
9H-fluorene;henicosane
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azane;hexakis(9H-fluorene)
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9H-fluorene;trihydrofluoride
CID 172854917
cadmium;9H-fluorene
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chromium;9H-fluorene
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ethane;9H-fluorene;propanoic acid
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Frequently Asked Questions

What is the IUPAC name of ethane;9H-fluorene;methane;methoxyethane;propane?
The IUPAC name of ethane;9H-fluorene;methane;methoxyethane;propane (CID 159155851) is ethane;9H-fluorene;methane;methoxyethane;propane.
What is the SMILES notation for ethane;9H-fluorene;methane;methoxyethane;propane?
The canonical SMILES for ethane;9H-fluorene;methane;methoxyethane;propane is C.C.CC.CC.CC.CCC.CCOC.CCOC.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of ethane;9H-fluorene;methane;methoxyethane;propane?
The InChIKey is KJWNMBBOSZAQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.2C3H8O.C3H8.3C2H6.2CH4/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-3-4-2;1-3-2;3*1-2;;/h1-8H,9H2;2*3H2,1-2H3;3H2,1-2H3;3*1-2H3;2*1H4.
What are the key properties of ethane;9H-fluorene;methane;methoxyethane;propane?
ethane;9H-fluorene;methane;methoxyethane;propane has a molecular weight of 452.81 g/mol, XLogP of 10.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9H-fluorene;methane;methoxyethane;propane is sourced from PubChem (CID 159155851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).