(1-cycloheptylcycloheptyl) formate

C15H26O2 — CID 18360055

IUPAC(1-cycloheptylcycloheptyl) formate
SMILESO=COC1(C2CCCCCC2)CCCCCC1
InChIInChI=1S/C15H26O2/c16-13-17-15(11-7-3-4-8-12-15)14-9-5-1-2-6-10-14/h13-14H,1-12H2
InChIKeySUTVKRZSOSFYFI-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.22
Rot. Bonds3

About (1-cycloheptylcycloheptyl) formate

(1-cycloheptylcycloheptyl) formate (PubChem CID 18360055) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1-cycloheptylcycloheptyl) formate.

Molecular Properties

Compound Name(1-cycloheptylcycloheptyl) formate
PubChem CID18360055
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1-cycloheptylcycloheptyl) formate
SMILESO=COC1(C2CCCCCC2)CCCCCC1
InChIInChI=1S/C15H26O2/c16-13-17-15(11-7-3-4-8-12-15)14-9-5-1-2-6-10-14/h13-14H,1-12H2
InChIKeySUTVKRZSOSFYFI-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-cycloheptylcycloheptyl) formate?
The IUPAC name of (1-cycloheptylcycloheptyl) formate (CID 18360055) is (1-cycloheptylcycloheptyl) formate.
What is the SMILES notation for (1-cycloheptylcycloheptyl) formate?
The canonical SMILES for (1-cycloheptylcycloheptyl) formate is O=COC1(C2CCCCCC2)CCCCCC1.
What is the InChIKey of (1-cycloheptylcycloheptyl) formate?
The InChIKey is SUTVKRZSOSFYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c16-13-17-15(11-7-3-4-8-12-15)14-9-5-1-2-6-10-14/h13-14H,1-12H2.
What are the key properties of (1-cycloheptylcycloheptyl) formate?
(1-cycloheptylcycloheptyl) formate has a molecular weight of 238.37 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cycloheptylcycloheptyl) formate is sourced from PubChem (CID 18360055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).