1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecamethylcycloheptane

C21H42 — CID 23565911

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecamethylcycloheptane
SMILESCC1(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C21H42/c1-15(2)16(3,4)18(7,8)20(11,12)21(13,14)19(9,10)17(15,5)6/h1-14H3
InChIKeyUETIERVOEGYJTG-UHFFFAOYSA-N
MW294.57 g/mol
LogP7.18
Rot. Bonds

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecamethylcycloheptane

1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecamethylcycloheptane (PubChem CID 23565911) has the molecular formula C21H42 and a molecular weight of 294.57 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecamethylcycloheptane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecamethylcycloheptane
PubChem CID23565911
Molecular FormulaC21H42
Molecular Weight294.57 g/mol
Exact Mass294.33
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecamethylcycloheptane
SMILESCC1(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C21H42/c1-15(2)16(3,4)18(7,8)20(11,12)21(13,14)19(9,10)17(15,5)6/h1-14H3
InChIKeyUETIERVOEGYJTG-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.57
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecamethylcycloheptane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecamethylcycloheptane (CID 23565911) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecamethylcycloheptane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecamethylcycloheptane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecamethylcycloheptane is CC1(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecamethylcycloheptane?
The InChIKey is UETIERVOEGYJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42/c1-15(2)16(3,4)18(7,8)20(11,12)21(13,14)19(9,10)17(15,5)6/h1-14H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecamethylcycloheptane?
1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecamethylcycloheptane has a molecular weight of 294.57 g/mol, XLogP of 7.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecamethylcycloheptane is sourced from PubChem (CID 23565911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).