[4-(4-butylcyclohexyl)cyclohexyl] formate

C17H30O2 — CID 87629999

IUPAC[4-(4-butylcyclohexyl)cyclohexyl] formate
SMILESCCCCC1CCC(C2CCC(OC=O)CC2)CC1
InChIInChI=1S/C17H30O2/c1-2-3-4-14-5-7-15(8-6-14)16-9-11-17(12-10-16)19-13-18/h13-17H,2-12H2,1H3
InChIKeyQEIHQAUZQMIENN-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.71
Rot. Bonds6

About [4-(4-butylcyclohexyl)cyclohexyl] formate

[4-(4-butylcyclohexyl)cyclohexyl] formate (PubChem CID 87629999) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is [4-(4-butylcyclohexyl)cyclohexyl] formate.

Molecular Properties

Compound Name[4-(4-butylcyclohexyl)cyclohexyl] formate
PubChem CID87629999
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name[4-(4-butylcyclohexyl)cyclohexyl] formate
SMILESCCCCC1CCC(C2CCC(OC=O)CC2)CC1
InChIInChI=1S/C17H30O2/c1-2-3-4-14-5-7-15(8-6-14)16-9-11-17(12-10-16)19-13-18/h13-17H,2-12H2,1H3
InChIKeyQEIHQAUZQMIENN-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.71
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-pentylcyclohexyl) formate
CID 57022006
[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl] acetate
CID 70424694
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
(4-ethylcyclohexyl) formate
CID 57083456
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
CID 146793992
tert-butyl formate;hexylcyclopropane
CID 174391270
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
1-[4-(3-fluoropropyl)cyclohexyl]-4-(4-octylcyclohexyl)cyclohexane
CID 54536291
1-[4-(3-fluoropropyl)cyclohexyl]-4-(4-heptylcyclohexyl)cyclohexane
CID 54105459

Frequently Asked Questions

What is the IUPAC name of [4-(4-butylcyclohexyl)cyclohexyl] formate?
The IUPAC name of [4-(4-butylcyclohexyl)cyclohexyl] formate (CID 87629999) is [4-(4-butylcyclohexyl)cyclohexyl] formate.
What is the SMILES notation for [4-(4-butylcyclohexyl)cyclohexyl] formate?
The canonical SMILES for [4-(4-butylcyclohexyl)cyclohexyl] formate is CCCCC1CCC(C2CCC(OC=O)CC2)CC1.
What is the InChIKey of [4-(4-butylcyclohexyl)cyclohexyl] formate?
The InChIKey is QEIHQAUZQMIENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-2-3-4-14-5-7-15(8-6-14)16-9-11-17(12-10-16)19-13-18/h13-17H,2-12H2,1H3.
What are the key properties of [4-(4-butylcyclohexyl)cyclohexyl] formate?
[4-(4-butylcyclohexyl)cyclohexyl] formate has a molecular weight of 266.42 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-butylcyclohexyl)cyclohexyl] formate is sourced from PubChem (CID 87629999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).