(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylcyclohexane

C16H26 — CID 11985125

IUPAC(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylcyclohexane
SMILESCC1=C(C)C(CC2CCCCC2)C(C)=C1C
InChIInChI=1S/C16H26/c1-11-12(2)14(4)16(13(11)3)10-15-8-6-5-7-9-15/h15-16H,5-10H2,1-4H3
InChIKeyYCEZDJLMNXKXCD-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.26
Rot. Bonds2

About (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylcyclohexane

(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylcyclohexane (PubChem CID 11985125) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylcyclohexane.

Molecular Properties

Compound Name(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylcyclohexane
PubChem CID11985125
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylcyclohexane
SMILESCC1=C(C)C(CC2CCCCC2)C(C)=C1C
InChIInChI=1S/C16H26/c1-11-12(2)14(4)16(13(11)3)10-15-8-6-5-7-9-15/h15-16H,5-10H2,1-4H3
InChIKeyYCEZDJLMNXKXCD-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylcyclohexane?
The IUPAC name of (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylcyclohexane (CID 11985125) is (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylcyclohexane.
What is the SMILES notation for (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylcyclohexane?
The canonical SMILES for (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylcyclohexane is CC1=C(C)C(CC2CCCCC2)C(C)=C1C.
What is the InChIKey of (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylcyclohexane?
The InChIKey is YCEZDJLMNXKXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-11-12(2)14(4)16(13(11)3)10-15-8-6-5-7-9-15/h15-16H,5-10H2,1-4H3.
What are the key properties of (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylcyclohexane?
(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylcyclohexane has a molecular weight of 218.38 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylcyclohexane is sourced from PubChem (CID 11985125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).