tert-butyl formate;hexylcyclopropane

C14H28O2 — CID 174391270

IUPACtert-butyl formate;hexylcyclopropane
SMILESCC(C)(C)OC=O.CCCCCCC1CC1
InChIInChI=1S/C9H18.C5H10O2/c1-2-3-4-5-6-9-7-8-9;1-5(2,3)7-4-6/h9H,2-8H2,1H3;4H,1-3H3
InChIKeyCUKCLKBHDWEZML-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.32
Rot. Bonds6

About tert-butyl formate;hexylcyclopropane

tert-butyl formate;hexylcyclopropane (PubChem CID 174391270) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is tert-butyl formate;hexylcyclopropane.

Molecular Properties

Compound Nametert-butyl formate;hexylcyclopropane
PubChem CID174391270
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Nametert-butyl formate;hexylcyclopropane
SMILESCC(C)(C)OC=O.CCCCCCC1CC1
InChIInChI=1S/C9H18.C5H10O2/c1-2-3-4-5-6-9-7-8-9;1-5(2,3)7-4-6/h9H,2-8H2,1H3;4H,1-3H3
InChIKeyCUKCLKBHDWEZML-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.32
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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Related Compounds

(4-pentylcyclohexyl) formate
CID 57022006
1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
azane;hexylcyclopropane
CID 135322230
hexane;pentylcyclopropane
CID 159592467
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
(4-pentylcyclohexyl) hydrogen carbonate
CID 22076680
1-tert-butyl-4-tetradecylcyclohexane
CID 71420445

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;hexylcyclopropane?
The IUPAC name of tert-butyl formate;hexylcyclopropane (CID 174391270) is tert-butyl formate;hexylcyclopropane.
What is the SMILES notation for tert-butyl formate;hexylcyclopropane?
The canonical SMILES for tert-butyl formate;hexylcyclopropane is CC(C)(C)OC=O.CCCCCCC1CC1.
What is the InChIKey of tert-butyl formate;hexylcyclopropane?
The InChIKey is CUKCLKBHDWEZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C5H10O2/c1-2-3-4-5-6-9-7-8-9;1-5(2,3)7-4-6/h9H,2-8H2,1H3;4H,1-3H3.
What are the key properties of tert-butyl formate;hexylcyclopropane?
tert-butyl formate;hexylcyclopropane has a molecular weight of 228.38 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;hexylcyclopropane is sourced from PubChem (CID 174391270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).