2,5-dimethyl-6-[(E)-prop-1-enyl]cyclohexa-1,3-diene

C11H16 — CID 142132615

IUPAC2,5-dimethyl-6-[(E)-prop-1-enyl]cyclohexa-1,3-diene
SMILESC/C=C/C1C=C(C)C=CC1C
InChIInChI=1S/C11H16/c1-4-5-11-8-9(2)6-7-10(11)3/h4-8,10-11H,1-3H3/b5-4+
InChIKeyNZNFKSWQAZNRMQ-SNAWJCMRSA-N
MW148.25 g/mol
LogP3.33
Rot. Bonds1

About 2,5-dimethyl-6-[(E)-prop-1-enyl]cyclohexa-1,3-diene

2,5-dimethyl-6-[(E)-prop-1-enyl]cyclohexa-1,3-diene (PubChem CID 142132615) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 2,5-dimethyl-6-[(E)-prop-1-enyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name2,5-dimethyl-6-[(E)-prop-1-enyl]cyclohexa-1,3-diene
PubChem CID142132615
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name2,5-dimethyl-6-[(E)-prop-1-enyl]cyclohexa-1,3-diene
SMILESC/C=C/C1C=C(C)C=CC1C
InChIInChI=1S/C11H16/c1-4-5-11-8-9(2)6-7-10(11)3/h4-8,10-11H,1-3H3/b5-4+
InChIKeyNZNFKSWQAZNRMQ-SNAWJCMRSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,6-dimethylcyclohexa-2,4-dien-1-ol
CID 154059355
ethane;5-methyl-6-[(Z)-prop-1-enyl]cyclohexa-1,3-diene
CID 143831212
5-fluoro-2,6-dimethylcyclohexa-1,3-diene
CID 89049672
1-(4,6-dimethylcyclohexa-2,4-dien-1-yl)ethanol
CID 90828048
3-methylcyclopenta-2,4-diene-1-carbaldehyde
CID 131862306
(1R,2S)-4-methylcyclohexa-3,5-diene-1,2-diol
CID 25203479
5-(3-ethylidene-4-prop-1-en-2-ylhex-4-en-2-yl)-2,6-dimethylcyclohexa-1,3-diene
CID 123390260
1,6-dimethyl-1,3,3a,7a-tetrahydro-2-benzofuran
CID 118461829
3-methylbicyclo[4.1.0]hepta-2,4-diene
CID 123395946
methyl-bis(3-methylcyclopenta-2,4-dien-1-yl)silane
CID 162270776
2-methyl-5-(2-methylpropyl)cyclopenta-1,3-diene;zirconium
CID 174493510
(3S,4S)-3,4-dimethyl-6-methylidenecyclohexene
CID 59584717

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-[(E)-prop-1-enyl]cyclohexa-1,3-diene?
The IUPAC name of 2,5-dimethyl-6-[(E)-prop-1-enyl]cyclohexa-1,3-diene (CID 142132615) is 2,5-dimethyl-6-[(E)-prop-1-enyl]cyclohexa-1,3-diene.
What is the SMILES notation for 2,5-dimethyl-6-[(E)-prop-1-enyl]cyclohexa-1,3-diene?
The canonical SMILES for 2,5-dimethyl-6-[(E)-prop-1-enyl]cyclohexa-1,3-diene is C/C=C/C1C=C(C)C=CC1C.
What is the InChIKey of 2,5-dimethyl-6-[(E)-prop-1-enyl]cyclohexa-1,3-diene?
The InChIKey is NZNFKSWQAZNRMQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H16/c1-4-5-11-8-9(2)6-7-10(11)3/h4-8,10-11H,1-3H3/b5-4+.
What are the key properties of 2,5-dimethyl-6-[(E)-prop-1-enyl]cyclohexa-1,3-diene?
2,5-dimethyl-6-[(E)-prop-1-enyl]cyclohexa-1,3-diene has a molecular weight of 148.25 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-[(E)-prop-1-enyl]cyclohexa-1,3-diene is sourced from PubChem (CID 142132615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).