1-ethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene

C11H16 — CID 143168816

IUPAC1-ethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene
SMILESC=C(C)C1=CC=C(CC)CC1
InChIInChI=1S/C11H16/c1-4-10-5-7-11(8-6-10)9(2)3/h5,7H,2,4,6,8H2,1,3H3
InChIKeyOIRFDDVXEQLHJM-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.62
Rot. Bonds2

About 1-ethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene

1-ethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene (PubChem CID 143168816) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 1-ethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-ethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene
PubChem CID143168816
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name1-ethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene
SMILESC=C(C)C1=CC=C(CC)CC1
InChIInChI=1S/C11H16/c1-4-10-5-7-11(8-6-10)9(2)3/h5,7H,2,4,6,8H2,1,3H3
InChIKeyOIRFDDVXEQLHJM-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

(Z)-but-2-ene;1,4-diethylcyclohexa-1,3-diene
CID 143221988
2-(4-ethylcyclohexa-1,3-dien-1-yl)acetonitrile
CID 129089439
1-ethyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 89161594
1-ethyl-4-ethynylcyclohexa-1,3-diene
CID 163565857
1-methyl-4-prop-1-en-2-ylcyclopenta-1,3-diene
CID 143480455
1-ethyl-4-prop-1-en-2-ylcyclohexene
CID 91292506
1-(4-ethylcyclopenta-1,3-dien-1-yl)propan-1-one
CID 20755925
3-ethyl-1-prop-1-en-2-ylcyclopentene
CID 90736766
5-(4-ethylcyclohexa-1,3-dien-1-yl)hexan-2-ol
CID 142281390
(4-ethylcyclohexa-1,3-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)diazene
CID 91539939
1-bromo-4-(4-ethylcyclohexa-1,3-dien-1-yl)benzene
CID 71068147
1-but-3-yn-2-yl-4-ethylcyclohexa-1,3-diene
CID 170621382

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene?
The IUPAC name of 1-ethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene (CID 143168816) is 1-ethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 1-ethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 1-ethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene is C=C(C)C1=CC=C(CC)CC1.
What is the InChIKey of 1-ethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene?
The InChIKey is OIRFDDVXEQLHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-4-10-5-7-11(8-6-10)9(2)3/h5,7H,2,4,6,8H2,1,3H3.
What are the key properties of 1-ethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene?
1-ethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene has a molecular weight of 148.25 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 143168816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).