ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane

C28H62O3 — CID 158392294

IUPACethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane
SMILESCC.CC.CC.CC(C)OC1CC1.CC(C)OC1CCC1.CC(C)OC1CCCCC1
InChIInChI=1S/C9H18O.C7H14O.C6H12O.3C2H6/c1-8(2)10-9-6-4-3-5-7-9;1-6(2)8-7-4-3-5-7;1-5(2)7-6-3-4-6;3*1-2/h8-9H,3-7H2,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;3*1-2H3
InChIKeyGXCNGBUMXBQSTC-UHFFFAOYSA-N
MW446.80 g/mol
LogP9.36
Rot. Bonds6

About ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane

ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane (PubChem CID 158392294) has the molecular formula C28H62O3 and a molecular weight of 446.80 g/mol. Its IUPAC name is ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane.

Molecular Properties

Compound Nameethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane
PubChem CID158392294
Molecular FormulaC28H62O3
Molecular Weight446.80 g/mol
Exact Mass446.47
IUPAC Nameethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane
SMILESCC.CC.CC.CC(C)OC1CC1.CC(C)OC1CCC1.CC(C)OC1CCCCC1
InChIInChI=1S/C9H18O.C7H14O.C6H12O.3C2H6/c1-8(2)10-9-6-4-3-5-7-9;1-6(2)8-7-4-3-5-7;1-5(2)7-6-3-4-6;3*1-2/h8-9H,3-7H2,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;3*1-2H3
InChIKeyGXCNGBUMXBQSTC-UHFFFAOYSA-N
XLogP9.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.80
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane?
The IUPAC name of ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane (CID 158392294) is ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane.
What is the SMILES notation for ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane?
The canonical SMILES for ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane is CC.CC.CC.CC(C)OC1CC1.CC(C)OC1CCC1.CC(C)OC1CCCCC1.
What is the InChIKey of ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane?
The InChIKey is GXCNGBUMXBQSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.C7H14O.C6H12O.3C2H6/c1-8(2)10-9-6-4-3-5-7-9;1-6(2)8-7-4-3-5-7;1-5(2)7-6-3-4-6;3*1-2/h8-9H,3-7H2,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;3*1-2H3.
What are the key properties of ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane?
ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane has a molecular weight of 446.80 g/mol, XLogP of 9.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane is sourced from PubChem (CID 158392294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).