formic acid;1-heptyl-2-octylcyclopentane;methane

C22H46O2 — CID 158445851

IUPACformic acid;1-heptyl-2-octylcyclopentane;methane
SMILESC.CCCCCCCCC1CCCC1CCCCCCC.O=CO
InChIInChI=1S/C20H40.CH2O2.CH4/c1-3-5-7-9-11-13-16-20-18-14-17-19(20)15-12-10-8-6-4-2;2-1-3;/h19-20H,3-18H2,1-2H3;1H,(H,2,3);1H4
InChIKeyHDJODYJXHAPKEX-UHFFFAOYSA-N
MW342.61 g/mol
LogP7.85
Rot. Bonds13

About formic acid;1-heptyl-2-octylcyclopentane;methane

formic acid;1-heptyl-2-octylcyclopentane;methane (PubChem CID 158445851) has the molecular formula C22H46O2 and a molecular weight of 342.61 g/mol. Its IUPAC name is formic acid;1-heptyl-2-octylcyclopentane;methane.

Molecular Properties

Compound Nameformic acid;1-heptyl-2-octylcyclopentane;methane
PubChem CID158445851
Molecular FormulaC22H46O2
Molecular Weight342.61 g/mol
Exact Mass342.35
IUPAC Nameformic acid;1-heptyl-2-octylcyclopentane;methane
SMILESC.CCCCCCCCC1CCCC1CCCCCCC.O=CO
InChIInChI=1S/C20H40.CH2O2.CH4/c1-3-5-7-9-11-13-16-20-18-14-17-19(20)15-12-10-8-6-4-2;2-1-3;/h19-20H,3-18H2,1-2H3;1H,(H,2,3);1H4
InChIKeyHDJODYJXHAPKEX-UHFFFAOYSA-N
XLogP7.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725
trans-(1S,2S)-1-ethyl-2-heptylcyclopentane
CID 175197427
1-pentyl-2-propylcyclopentane
CID 549948
3-(2-octylcyclopentyl)propanoic acid
CID 57357948
7-[(1R,2S)-2-octylcyclopentyl]hept-3-enal
CID 57180089
cis-(1S,2S)-2-hexylcyclopentan-1-ol
CID 10654739
trans-(1R,2S)-2-hexylcyclopentan-1-ol
CID 10797255
8-[(1S,2S)-2-octylcyclopentyl]oct-2-en-1-ol
CID 54030734
methyl 2-[(1S,2S)-2-pentylcyclopentyl]acetate
CID 68845600
(1E,3E,5E)-7-[(1R,2S)-2-octylcyclopentyl]hepta-1,3,5-trien-1-ol
CID 88720075

Frequently Asked Questions

What is the IUPAC name of formic acid;1-heptyl-2-octylcyclopentane;methane?
The IUPAC name of formic acid;1-heptyl-2-octylcyclopentane;methane (CID 158445851) is formic acid;1-heptyl-2-octylcyclopentane;methane.
What is the SMILES notation for formic acid;1-heptyl-2-octylcyclopentane;methane?
The canonical SMILES for formic acid;1-heptyl-2-octylcyclopentane;methane is C.CCCCCCCCC1CCCC1CCCCCCC.O=CO.
What is the InChIKey of formic acid;1-heptyl-2-octylcyclopentane;methane?
The InChIKey is HDJODYJXHAPKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40.CH2O2.CH4/c1-3-5-7-9-11-13-16-20-18-14-17-19(20)15-12-10-8-6-4-2;2-1-3;/h19-20H,3-18H2,1-2H3;1H,(H,2,3);1H4.
What are the key properties of formic acid;1-heptyl-2-octylcyclopentane;methane?
formic acid;1-heptyl-2-octylcyclopentane;methane has a molecular weight of 342.61 g/mol, XLogP of 7.85, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-heptyl-2-octylcyclopentane;methane is sourced from PubChem (CID 158445851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).