6-phenylspiro[2.5]octane

C14H18 — CID 123640963

IUPAC6-phenylspiro[2.5]octane
SMILESc1ccc(C2CCC3(CC2)CC3)cc1
InChIInChI=1S/C14H18/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)10-11-14/h1-5,13H,6-11H2
InChIKeyYSOBINUHZLSDDW-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.12
Rot. Bonds1

About 6-phenylspiro[2.5]octane

6-phenylspiro[2.5]octane (PubChem CID 123640963) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 6-phenylspiro[2.5]octane.

Molecular Properties

Compound Name6-phenylspiro[2.5]octane
PubChem CID123640963
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name6-phenylspiro[2.5]octane
SMILESc1ccc(C2CCC3(CC2)CC3)cc1
InChIInChI=1S/C14H18/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)10-11-14/h1-5,13H,6-11H2
InChIKeyYSOBINUHZLSDDW-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-phenylspiro[2.5]octane?
The IUPAC name of 6-phenylspiro[2.5]octane (CID 123640963) is 6-phenylspiro[2.5]octane.
What is the SMILES notation for 6-phenylspiro[2.5]octane?
The canonical SMILES for 6-phenylspiro[2.5]octane is c1ccc(C2CCC3(CC2)CC3)cc1.
What is the InChIKey of 6-phenylspiro[2.5]octane?
The InChIKey is YSOBINUHZLSDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)10-11-14/h1-5,13H,6-11H2.
What are the key properties of 6-phenylspiro[2.5]octane?
6-phenylspiro[2.5]octane has a molecular weight of 186.30 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylspiro[2.5]octane is sourced from PubChem (CID 123640963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).