1-cyclopenta-1,3-dien-1-yl-1-propylcyclohexane

C14H22 — CID 14641811

IUPAC1-cyclopenta-1,3-dien-1-yl-1-propylcyclohexane
SMILESCCCC1(C2=CC=CC2)CCCCC1
InChIInChI=1S/C14H22/c1-2-10-14(11-6-3-7-12-14)13-8-4-5-9-13/h4-5,8H,2-3,6-7,9-12H2,1H3
InChIKeyWIHQIXXLPNEQCL-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.62
Rot. Bonds3

About 1-cyclopenta-1,3-dien-1-yl-1-propylcyclohexane

1-cyclopenta-1,3-dien-1-yl-1-propylcyclohexane (PubChem CID 14641811) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-1-propylcyclohexane.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yl-1-propylcyclohexane
PubChem CID14641811
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1-cyclopenta-1,3-dien-1-yl-1-propylcyclohexane
SMILESCCCC1(C2=CC=CC2)CCCCC1
InChIInChI=1S/C14H22/c1-2-10-14(11-6-3-7-12-14)13-8-4-5-9-13/h4-5,8H,2-3,6-7,9-12H2,1H3
InChIKeyWIHQIXXLPNEQCL-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-yl-1-propylcyclohexane?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-1-propylcyclohexane (CID 14641811) is 1-cyclopenta-1,3-dien-1-yl-1-propylcyclohexane.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-1-propylcyclohexane?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-1-propylcyclohexane is CCCC1(C2=CC=CC2)CCCCC1.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-1-propylcyclohexane?
The InChIKey is WIHQIXXLPNEQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-2-10-14(11-6-3-7-12-14)13-8-4-5-9-13/h4-5,8H,2-3,6-7,9-12H2,1H3.
What are the key properties of 1-cyclopenta-1,3-dien-1-yl-1-propylcyclohexane?
1-cyclopenta-1,3-dien-1-yl-1-propylcyclohexane has a molecular weight of 190.33 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-yl-1-propylcyclohexane is sourced from PubChem (CID 14641811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).