(5-propan-2-ylcyclopenta-1,3-dien-1-yl)benzene

C14H16 — CID 175483220

IUPAC(5-propan-2-ylcyclopenta-1,3-dien-1-yl)benzene
SMILESCC(C)C1C=CC=C1c1ccccc1
InChIInChI=1S/C14H16/c1-11(2)13-9-6-10-14(13)12-7-4-3-5-8-12/h3-11,13H,1-2H3
InChIKeyNAQAVRGEBJDHBS-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.91
Rot. Bonds2

About (5-propan-2-ylcyclopenta-1,3-dien-1-yl)benzene

(5-propan-2-ylcyclopenta-1,3-dien-1-yl)benzene (PubChem CID 175483220) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is (5-propan-2-ylcyclopenta-1,3-dien-1-yl)benzene.

Molecular Properties

Compound Name(5-propan-2-ylcyclopenta-1,3-dien-1-yl)benzene
PubChem CID175483220
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name(5-propan-2-ylcyclopenta-1,3-dien-1-yl)benzene
SMILESCC(C)C1C=CC=C1c1ccccc1
InChIInChI=1S/C14H16/c1-11(2)13-9-6-10-14(13)12-7-4-3-5-8-12/h3-11,13H,1-2H3
InChIKeyNAQAVRGEBJDHBS-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (5-propan-2-ylcyclopenta-1,3-dien-1-yl)benzene?
The IUPAC name of (5-propan-2-ylcyclopenta-1,3-dien-1-yl)benzene (CID 175483220) is (5-propan-2-ylcyclopenta-1,3-dien-1-yl)benzene.
What is the SMILES notation for (5-propan-2-ylcyclopenta-1,3-dien-1-yl)benzene?
The canonical SMILES for (5-propan-2-ylcyclopenta-1,3-dien-1-yl)benzene is CC(C)C1C=CC=C1c1ccccc1.
What is the InChIKey of (5-propan-2-ylcyclopenta-1,3-dien-1-yl)benzene?
The InChIKey is NAQAVRGEBJDHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-11(2)13-9-6-10-14(13)12-7-4-3-5-8-12/h3-11,13H,1-2H3.
What are the key properties of (5-propan-2-ylcyclopenta-1,3-dien-1-yl)benzene?
(5-propan-2-ylcyclopenta-1,3-dien-1-yl)benzene has a molecular weight of 184.28 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-ylcyclopenta-1,3-dien-1-yl)benzene is sourced from PubChem (CID 175483220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).