(4-ethylcyclohexyl) formate

C9H16O2 — CID 57083456

IUPAC(4-ethylcyclohexyl) formate
SMILESCCC1CCC(OC=O)CC1
InChIInChI=1S/C9H16O2/c1-2-8-3-5-9(6-4-8)11-7-10/h7-9H,2-6H2,1H3
InChIKeyORPRDAPGFVDZPS-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.13
Rot. Bonds3

About (4-ethylcyclohexyl) formate

(4-ethylcyclohexyl) formate (PubChem CID 57083456) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (4-ethylcyclohexyl) formate.

Molecular Properties

Compound Name(4-ethylcyclohexyl) formate
PubChem CID57083456
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(4-ethylcyclohexyl) formate
SMILESCCC1CCC(OC=O)CC1
InChIInChI=1S/C9H16O2/c1-2-8-3-5-9(6-4-8)11-7-10/h7-9H,2-6H2,1H3
InChIKeyORPRDAPGFVDZPS-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-methylbutyl)cyclohexyl] formate
CID 118946894
(4-pentylcyclohexyl) formate
CID 57022006
[4-(4-butylcyclohexyl)cyclohexyl] formate
CID 87629999
(3-ethoxycyclopentyl) formate
CID 87823769
(4-chlorocyclohexyl) formate
CID 21249018
N-[(4-ethylcyclohexyl)methyl]formamide
CID 64992922
azane;ethylcyclopropane
CID 20975579
ethane;ethylcyclopropane
CID 91380076
acetic acid;ethylcyclopropane
CID 175213909
ethane;4-ethylcyclohexane-1-carbaldehyde
CID 145257925
(4-ethylcyclohexyl) 2-methylprop-2-enoate
CID 22250722
1-ethyl-4-(2-fluoroethyl)cyclohexane
CID 18344113

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl) formate?
The IUPAC name of (4-ethylcyclohexyl) formate (CID 57083456) is (4-ethylcyclohexyl) formate.
What is the SMILES notation for (4-ethylcyclohexyl) formate?
The canonical SMILES for (4-ethylcyclohexyl) formate is CCC1CCC(OC=O)CC1.
What is the InChIKey of (4-ethylcyclohexyl) formate?
The InChIKey is ORPRDAPGFVDZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-8-3-5-9(6-4-8)11-7-10/h7-9H,2-6H2,1H3.
What are the key properties of (4-ethylcyclohexyl) formate?
(4-ethylcyclohexyl) formate has a molecular weight of 156.22 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl) formate is sourced from PubChem (CID 57083456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).