(4-butan-2-ylcyclohexa-1,3-dien-1-yl)benzene

C16H20 — CID 156827134

IUPAC(4-butan-2-ylcyclohexa-1,3-dien-1-yl)benzene
SMILESCCC(C)C1=CC=C(c2ccccc2)CC1
InChIInChI=1S/C16H20/c1-3-13(2)14-9-11-16(12-10-14)15-7-5-4-6-8-15/h4-9,11,13H,3,10,12H2,1-2H3
InChIKeyGAJALBBXIWXKAT-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.84
Rot. Bonds3

About (4-butan-2-ylcyclohexa-1,3-dien-1-yl)benzene

(4-butan-2-ylcyclohexa-1,3-dien-1-yl)benzene (PubChem CID 156827134) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is (4-butan-2-ylcyclohexa-1,3-dien-1-yl)benzene.

Molecular Properties

Compound Name(4-butan-2-ylcyclohexa-1,3-dien-1-yl)benzene
PubChem CID156827134
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name(4-butan-2-ylcyclohexa-1,3-dien-1-yl)benzene
SMILESCCC(C)C1=CC=C(c2ccccc2)CC1
InChIInChI=1S/C16H20/c1-3-13(2)14-9-11-16(12-10-14)15-7-5-4-6-8-15/h4-9,11,13H,3,10,12H2,1-2H3
InChIKeyGAJALBBXIWXKAT-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylcyclohexa-1,3-dien-1-yl)benzene?
The IUPAC name of (4-butan-2-ylcyclohexa-1,3-dien-1-yl)benzene (CID 156827134) is (4-butan-2-ylcyclohexa-1,3-dien-1-yl)benzene.
What is the SMILES notation for (4-butan-2-ylcyclohexa-1,3-dien-1-yl)benzene?
The canonical SMILES for (4-butan-2-ylcyclohexa-1,3-dien-1-yl)benzene is CCC(C)C1=CC=C(c2ccccc2)CC1.
What is the InChIKey of (4-butan-2-ylcyclohexa-1,3-dien-1-yl)benzene?
The InChIKey is GAJALBBXIWXKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-3-13(2)14-9-11-16(12-10-14)15-7-5-4-6-8-15/h4-9,11,13H,3,10,12H2,1-2H3.
What are the key properties of (4-butan-2-ylcyclohexa-1,3-dien-1-yl)benzene?
(4-butan-2-ylcyclohexa-1,3-dien-1-yl)benzene has a molecular weight of 212.34 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylcyclohexa-1,3-dien-1-yl)benzene is sourced from PubChem (CID 156827134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).