1-but-2-en-2-yl-4-methylcyclohexa-1,3-diene

C11H16 — CID 123312515

IUPAC1-but-2-en-2-yl-4-methylcyclohexa-1,3-diene
SMILESCC=C(C)C1=CC=C(C)CC1
InChIInChI=1S/C11H16/c1-4-10(3)11-7-5-9(2)6-8-11/h4-5,7H,6,8H2,1-3H3
InChIKeyGLTCBOSWNAKTLJ-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.62
Rot. Bonds1

About 1-but-2-en-2-yl-4-methylcyclohexa-1,3-diene

1-but-2-en-2-yl-4-methylcyclohexa-1,3-diene (PubChem CID 123312515) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 1-but-2-en-2-yl-4-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-but-2-en-2-yl-4-methylcyclohexa-1,3-diene
PubChem CID123312515
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name1-but-2-en-2-yl-4-methylcyclohexa-1,3-diene
SMILESCC=C(C)C1=CC=C(C)CC1
InChIInChI=1S/C11H16/c1-4-10(3)11-7-5-9(2)6-8-11/h4-5,7H,6,8H2,1-3H3
InChIKeyGLTCBOSWNAKTLJ-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(E)-but-2-en-2-yl]-4-methylcyclohexa-1,3-diene
CID 142494440
[4-[(2E,4E)-5-[4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-2,4-dien-2-yl]cyclohexa-1,3-dien-1-yl]phosphane
CID 144737043
4-methylcyclohexa-1,3-diene-1-carboxylic acid
CID 91174535
4-methylcyclohexa-1,3-diene-1-carbonyl chloride
CID 89058972
ethane;methyl 4-methylcyclohexa-1,3-diene-1-carboxylate
CID 142945480
2-bromo-1-(4-methylcyclohexa-1,3-dien-1-yl)ethanone
CID 123526771
6-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)hepta-1,5-dien-4-one
CID 91751074
1-(4-methylcyclohexa-1,3-dien-1-yl)butan-1-one
CID 143214940
(E)-N-(ethyldiazenyl)-1-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine
CID 145466964
1,4-dimethylcyclohexa-1,3-diene;1,4-xylene
CID 142004310
methane;4-methylcyclohexa-1,3-dien-1-ol
CID 142050116
1-chloro-4-methylcyclohexa-1,3-diene;ethane
CID 143258352

Frequently Asked Questions

What is the IUPAC name of 1-but-2-en-2-yl-4-methylcyclohexa-1,3-diene?
The IUPAC name of 1-but-2-en-2-yl-4-methylcyclohexa-1,3-diene (CID 123312515) is 1-but-2-en-2-yl-4-methylcyclohexa-1,3-diene.
What is the SMILES notation for 1-but-2-en-2-yl-4-methylcyclohexa-1,3-diene?
The canonical SMILES for 1-but-2-en-2-yl-4-methylcyclohexa-1,3-diene is CC=C(C)C1=CC=C(C)CC1.
What is the InChIKey of 1-but-2-en-2-yl-4-methylcyclohexa-1,3-diene?
The InChIKey is GLTCBOSWNAKTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-4-10(3)11-7-5-9(2)6-8-11/h4-5,7H,6,8H2,1-3H3.
What are the key properties of 1-but-2-en-2-yl-4-methylcyclohexa-1,3-diene?
1-but-2-en-2-yl-4-methylcyclohexa-1,3-diene has a molecular weight of 148.25 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-en-2-yl-4-methylcyclohexa-1,3-diene is sourced from PubChem (CID 123312515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).