3-(cyclohexen-1-yl)buta-1,2-dienylbenzene

C16H18 — CID 11390193

IUPAC3-(cyclohexen-1-yl)buta-1,2-dienylbenzene
SMILESCC(=C=Cc1ccccc1)C1=CCCCC1
InChIInChI=1S/C16H18/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2,4-5,8-10,13H,3,6-7,11H2,1H3
InChIKeyDRXGHTPZQPBQCP-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.75
Rot. Bonds2

About 3-(cyclohexen-1-yl)buta-1,2-dienylbenzene

3-(cyclohexen-1-yl)buta-1,2-dienylbenzene (PubChem CID 11390193) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)buta-1,2-dienylbenzene.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)buta-1,2-dienylbenzene
PubChem CID11390193
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name3-(cyclohexen-1-yl)buta-1,2-dienylbenzene
SMILESCC(=C=Cc1ccccc1)C1=CCCCC1
InChIInChI=1S/C16H18/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2,4-5,8-10,13H,3,6-7,11H2,1H3
InChIKeyDRXGHTPZQPBQCP-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)buta-1,2-dienylbenzene?
The IUPAC name of 3-(cyclohexen-1-yl)buta-1,2-dienylbenzene (CID 11390193) is 3-(cyclohexen-1-yl)buta-1,2-dienylbenzene.
What is the SMILES notation for 3-(cyclohexen-1-yl)buta-1,2-dienylbenzene?
The canonical SMILES for 3-(cyclohexen-1-yl)buta-1,2-dienylbenzene is CC(=C=Cc1ccccc1)C1=CCCCC1.
What is the InChIKey of 3-(cyclohexen-1-yl)buta-1,2-dienylbenzene?
The InChIKey is DRXGHTPZQPBQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2,4-5,8-10,13H,3,6-7,11H2,1H3.
What are the key properties of 3-(cyclohexen-1-yl)buta-1,2-dienylbenzene?
3-(cyclohexen-1-yl)buta-1,2-dienylbenzene has a molecular weight of 210.32 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)buta-1,2-dienylbenzene is sourced from PubChem (CID 11390193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).