3-cyclohexylpropanoic acid;ethane;propane

C14H30O2 — CID 169257090

IUPAC3-cyclohexylpropanoic acid;ethane;propane
SMILESCC.CCC.O=C(O)CCC1CCCCC1
InChIInChI=1S/C9H16O2.C3H8.C2H6/c10-9(11)7-6-8-4-2-1-3-5-8;1-3-2;1-2/h8H,1-7H2,(H,10,11);3H2,1-2H3;1-2H3
InChIKeyLDNVHWVEUXOPJP-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.87
Rot. Bonds3

About 3-cyclohexylpropanoic acid;ethane;propane

3-cyclohexylpropanoic acid;ethane;propane (PubChem CID 169257090) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 3-cyclohexylpropanoic acid;ethane;propane.

Molecular Properties

Compound Name3-cyclohexylpropanoic acid;ethane;propane
PubChem CID169257090
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name3-cyclohexylpropanoic acid;ethane;propane
SMILESCC.CCC.O=C(O)CCC1CCCCC1
InChIInChI=1S/C9H16O2.C3H8.C2H6/c10-9(11)7-6-8-4-2-1-3-5-8;1-3-2;1-2/h8H,1-7H2,(H,10,11);3H2,1-2H3;1-2H3
InChIKeyLDNVHWVEUXOPJP-UHFFFAOYSA-N
XLogP4.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylpropanoic acid;ethane;propane?
The IUPAC name of 3-cyclohexylpropanoic acid;ethane;propane (CID 169257090) is 3-cyclohexylpropanoic acid;ethane;propane.
What is the SMILES notation for 3-cyclohexylpropanoic acid;ethane;propane?
The canonical SMILES for 3-cyclohexylpropanoic acid;ethane;propane is CC.CCC.O=C(O)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexylpropanoic acid;ethane;propane?
The InChIKey is LDNVHWVEUXOPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2.C3H8.C2H6/c10-9(11)7-6-8-4-2-1-3-5-8;1-3-2;1-2/h8H,1-7H2,(H,10,11);3H2,1-2H3;1-2H3.
What are the key properties of 3-cyclohexylpropanoic acid;ethane;propane?
3-cyclohexylpropanoic acid;ethane;propane has a molecular weight of 230.39 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylpropanoic acid;ethane;propane is sourced from PubChem (CID 169257090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).