5-(2-methylprop-2-enyl)cyclohexa-1,3-diene

C10H14 — CID 12596386

IUPAC5-(2-methylprop-2-enyl)cyclohexa-1,3-diene
SMILESC=C(C)CC1C=CC=CC1
InChIInChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-6,10H,1,7-8H2,2H3
InChIKeyXDALBAUIDRCUDV-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.08
Rot. Bonds2

About 5-(2-methylprop-2-enyl)cyclohexa-1,3-diene

5-(2-methylprop-2-enyl)cyclohexa-1,3-diene (PubChem CID 12596386) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 5-(2-methylprop-2-enyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(2-methylprop-2-enyl)cyclohexa-1,3-diene
PubChem CID12596386
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name5-(2-methylprop-2-enyl)cyclohexa-1,3-diene
SMILESC=C(C)CC1C=CC=CC1
InChIInChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-6,10H,1,7-8H2,2H3
InChIKeyXDALBAUIDRCUDV-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.08
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-cyclohexa-2,4-dien-1-yl-N-propan-2-ylprop-1-en-2-amine
CID 129144726
5-[(2Z)-4-methylpenta-2,4-dienyl]cyclohexa-1,3-diene
CID 163780403
5-[(2Z,4Z)-2-methylhexa-2,4-dienyl]cyclohexa-1,3-diene
CID 143194687
1-cyclohexa-2,4-dien-1-yl-3,3-dimethylbutan-2-one
CID 12828212
N-(3-cyclohexa-2,4-dien-1-ylpropoxy)prop-1-en-2-amine
CID 155119717
2-cyclohexa-2,4-dien-1-yl-N-ethylacetamide
CID 54481215
5-propylcyclohexa-1,3-diene
CID 13212987
1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol
CID 12596377
5-(ethoxymethyl)cyclohexa-1,3-diene
CID 23229072
5-[(3S)-2-methylpent-1-en-3-yl]cyclohexa-1,3-diene
CID 143361604
3-(cyclohexa-2,4-dien-1-ylmethyl)-2,4-dimethylpentan-3-ol
CID 102386981
1-cyclohexa-2,4-dien-1-yl-3-phenylpropan-2-one
CID 70951910

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylprop-2-enyl)cyclohexa-1,3-diene?
The IUPAC name of 5-(2-methylprop-2-enyl)cyclohexa-1,3-diene (CID 12596386) is 5-(2-methylprop-2-enyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-(2-methylprop-2-enyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-(2-methylprop-2-enyl)cyclohexa-1,3-diene is C=C(C)CC1C=CC=CC1.
What is the InChIKey of 5-(2-methylprop-2-enyl)cyclohexa-1,3-diene?
The InChIKey is XDALBAUIDRCUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-6,10H,1,7-8H2,2H3.
What are the key properties of 5-(2-methylprop-2-enyl)cyclohexa-1,3-diene?
5-(2-methylprop-2-enyl)cyclohexa-1,3-diene has a molecular weight of 134.22 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylprop-2-enyl)cyclohexa-1,3-diene is sourced from PubChem (CID 12596386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).