1,2,3,5,7-pentamethylcyclooctane

C13H26 — CID 91401486

IUPAC1,2,3,5,7-pentamethylcyclooctane
SMILESCC1CC(C)CC(C)C(C)C(C)C1
InChIInChI=1S/C13H26/c1-9-6-10(2)8-12(4)13(5)11(3)7-9/h9-13H,6-8H2,1-5H3
InChIKeySBUNSBQJNQQXJR-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.35
Rot. Bonds

About 1,2,3,5,7-pentamethylcyclooctane

1,2,3,5,7-pentamethylcyclooctane (PubChem CID 91401486) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1,2,3,5,7-pentamethylcyclooctane.

Molecular Properties

Compound Name1,2,3,5,7-pentamethylcyclooctane
PubChem CID91401486
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1,2,3,5,7-pentamethylcyclooctane
SMILESCC1CC(C)CC(C)C(C)C(C)C1
InChIInChI=1S/C13H26/c1-9-6-10(2)8-12(4)13(5)11(3)7-9/h9-13H,6-8H2,1-5H3
InChIKeySBUNSBQJNQQXJR-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,7-pentamethylcyclooctane?
The IUPAC name of 1,2,3,5,7-pentamethylcyclooctane (CID 91401486) is 1,2,3,5,7-pentamethylcyclooctane.
What is the SMILES notation for 1,2,3,5,7-pentamethylcyclooctane?
The canonical SMILES for 1,2,3,5,7-pentamethylcyclooctane is CC1CC(C)CC(C)C(C)C(C)C1.
What is the InChIKey of 1,2,3,5,7-pentamethylcyclooctane?
The InChIKey is SBUNSBQJNQQXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-9-6-10(2)8-12(4)13(5)11(3)7-9/h9-13H,6-8H2,1-5H3.
What are the key properties of 1,2,3,5,7-pentamethylcyclooctane?
1,2,3,5,7-pentamethylcyclooctane has a molecular weight of 182.35 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,7-pentamethylcyclooctane is sourced from PubChem (CID 91401486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).