3-methyl-6-propylcyclohexa-1,4-diene

C10H16 — CID 143307807

IUPAC3-methyl-6-propylcyclohexa-1,4-diene
SMILESCCCC1C=CC(C)C=C1
InChIInChI=1S/C10H16/c1-3-4-10-7-5-9(2)6-8-10/h5-10H,3-4H2,1-2H3
InChIKeyUBSDZZKSKPSRLP-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.16
Rot. Bonds2

About 3-methyl-6-propylcyclohexa-1,4-diene

3-methyl-6-propylcyclohexa-1,4-diene (PubChem CID 143307807) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 3-methyl-6-propylcyclohexa-1,4-diene.

Molecular Properties

Compound Name3-methyl-6-propylcyclohexa-1,4-diene
PubChem CID143307807
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name3-methyl-6-propylcyclohexa-1,4-diene
SMILESCCCC1C=CC(C)C=C1
InChIInChI=1S/C10H16/c1-3-4-10-7-5-9(2)6-8-10/h5-10H,3-4H2,1-2H3
InChIKeyUBSDZZKSKPSRLP-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.16
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-propylcyclopropene
CID 19958669
3,6-dibutylcyclohexa-1,4-diene
CID 90992302
4-propyl-1,4-dihydropyridine
CID 20549684
4-propyl-4H-azepine
CID 123929548
5-undecylcyclopenta-1,3-diene
CID 141280590
3-(3,3-dimethylpentyl)cyclopropene
CID 70378856
(1R,6R)-6-butylcycloocta-2,4,7-trien-1-ol
CID 71416520
8-methyl-9-propyltricyclo[5.2.1.02,6]dec-3-ene
CID 59861025
2-[4-(2-hydroxyethyl)cyclohexa-2,5-dien-1-yl]ethanol
CID 101087121
4-methyl-3-propylcyclopentene
CID 91050594
1,2,3,4-tetramethyl-5-propylcyclopentane
CID 23231337
1,2,3-trimethyl-4-propylcyclobutane
CID 90876457

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propylcyclohexa-1,4-diene?
The IUPAC name of 3-methyl-6-propylcyclohexa-1,4-diene (CID 143307807) is 3-methyl-6-propylcyclohexa-1,4-diene.
What is the SMILES notation for 3-methyl-6-propylcyclohexa-1,4-diene?
The canonical SMILES for 3-methyl-6-propylcyclohexa-1,4-diene is CCCC1C=CC(C)C=C1.
What is the InChIKey of 3-methyl-6-propylcyclohexa-1,4-diene?
The InChIKey is UBSDZZKSKPSRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-3-4-10-7-5-9(2)6-8-10/h5-10H,3-4H2,1-2H3.
What are the key properties of 3-methyl-6-propylcyclohexa-1,4-diene?
3-methyl-6-propylcyclohexa-1,4-diene has a molecular weight of 136.24 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propylcyclohexa-1,4-diene is sourced from PubChem (CID 143307807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).