[1-(cyclopenta-2,4-dien-1-ylmethyl)cyclopentyl]benzene;molecular hydrogen

C17H22 — CID 143248873

IUPAC[1-(cyclopenta-2,4-dien-1-ylmethyl)cyclopentyl]benzene;molecular hydrogen
SMILESC1=CC(CC2(c3ccccc3)CCCC2)C=C1.[H][H]
InChIInChI=1S/C17H20.H2/c1-2-10-16(11-3-1)17(12-6-7-13-17)14-15-8-4-5-9-15;/h1-5,8-11,15H,6-7,12-14H2;1H
InChIKeyNQCJYXAYAXESRC-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.88
Rot. Bonds3

About [1-(cyclopenta-2,4-dien-1-ylmethyl)cyclopentyl]benzene;molecular hydrogen

[1-(cyclopenta-2,4-dien-1-ylmethyl)cyclopentyl]benzene;molecular hydrogen (PubChem CID 143248873) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is [1-(cyclopenta-2,4-dien-1-ylmethyl)cyclopentyl]benzene;molecular hydrogen.

Molecular Properties

Compound Name[1-(cyclopenta-2,4-dien-1-ylmethyl)cyclopentyl]benzene;molecular hydrogen
PubChem CID143248873
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name[1-(cyclopenta-2,4-dien-1-ylmethyl)cyclopentyl]benzene;molecular hydrogen
SMILESC1=CC(CC2(c3ccccc3)CCCC2)C=C1.[H][H]
InChIInChI=1S/C17H20.H2/c1-2-10-16(11-3-1)17(12-6-7-13-17)14-15-8-4-5-9-15;/h1-5,8-11,15H,6-7,12-14H2;1H
InChIKeyNQCJYXAYAXESRC-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopenta-2,4-dien-1-ylmethyl)cyclopentyl]benzene;molecular hydrogen?
The IUPAC name of [1-(cyclopenta-2,4-dien-1-ylmethyl)cyclopentyl]benzene;molecular hydrogen (CID 143248873) is [1-(cyclopenta-2,4-dien-1-ylmethyl)cyclopentyl]benzene;molecular hydrogen.
What is the SMILES notation for [1-(cyclopenta-2,4-dien-1-ylmethyl)cyclopentyl]benzene;molecular hydrogen?
The canonical SMILES for [1-(cyclopenta-2,4-dien-1-ylmethyl)cyclopentyl]benzene;molecular hydrogen is C1=CC(CC2(c3ccccc3)CCCC2)C=C1.[H][H].
What is the InChIKey of [1-(cyclopenta-2,4-dien-1-ylmethyl)cyclopentyl]benzene;molecular hydrogen?
The InChIKey is NQCJYXAYAXESRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20.H2/c1-2-10-16(11-3-1)17(12-6-7-13-17)14-15-8-4-5-9-15;/h1-5,8-11,15H,6-7,12-14H2;1H.
What are the key properties of [1-(cyclopenta-2,4-dien-1-ylmethyl)cyclopentyl]benzene;molecular hydrogen?
[1-(cyclopenta-2,4-dien-1-ylmethyl)cyclopentyl]benzene;molecular hydrogen has a molecular weight of 226.36 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopenta-2,4-dien-1-ylmethyl)cyclopentyl]benzene;molecular hydrogen is sourced from PubChem (CID 143248873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).