4-cyclohexylbutyl formate;methane

C12H24O2 — CID 143866178

IUPAC4-cyclohexylbutyl formate;methane
SMILESC.O=COCCCCC1CCCCC1
InChIInChI=1S/C11H20O2.CH4/c12-10-13-9-5-4-8-11-6-2-1-3-7-11;/h10-11H,1-9H2;1H4
InChIKeyNGGVLIWAPMWCLK-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.55
Rot. Bonds6

About 4-cyclohexylbutyl formate;methane

4-cyclohexylbutyl formate;methane (PubChem CID 143866178) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 4-cyclohexylbutyl formate;methane.

Molecular Properties

Compound Name4-cyclohexylbutyl formate;methane
PubChem CID143866178
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name4-cyclohexylbutyl formate;methane
SMILESC.O=COCCCCC1CCCCC1
InChIInChI=1S/C11H20O2.CH4/c12-10-13-9-5-4-8-11-6-2-1-3-7-11;/h10-11H,1-9H2;1H4
InChIKeyNGGVLIWAPMWCLK-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylbutyl formate;methane?
The IUPAC name of 4-cyclohexylbutyl formate;methane (CID 143866178) is 4-cyclohexylbutyl formate;methane.
What is the SMILES notation for 4-cyclohexylbutyl formate;methane?
The canonical SMILES for 4-cyclohexylbutyl formate;methane is C.O=COCCCCC1CCCCC1.
What is the InChIKey of 4-cyclohexylbutyl formate;methane?
The InChIKey is NGGVLIWAPMWCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2.CH4/c12-10-13-9-5-4-8-11-6-2-1-3-7-11;/h10-11H,1-9H2;1H4.
What are the key properties of 4-cyclohexylbutyl formate;methane?
4-cyclohexylbutyl formate;methane has a molecular weight of 200.32 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylbutyl formate;methane is sourced from PubChem (CID 143866178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).