1-methyl-2-propylcyclohexa-1,4-diene

C10H16 — CID 165065893

IUPAC1-methyl-2-propylcyclohexa-1,4-diene
SMILESCCCC1=C(C)CC=CC1
InChIInChI=1S/C10H16/c1-3-6-10-8-5-4-7-9(10)2/h4-5H,3,6-8H2,1-2H3
InChIKeyWNSQZUTZNPFCQJ-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.45
Rot. Bonds2

About 1-methyl-2-propylcyclohexa-1,4-diene

1-methyl-2-propylcyclohexa-1,4-diene (PubChem CID 165065893) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1-methyl-2-propylcyclohexa-1,4-diene.

Molecular Properties

Compound Name1-methyl-2-propylcyclohexa-1,4-diene
PubChem CID165065893
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1-methyl-2-propylcyclohexa-1,4-diene
SMILESCCCC1=C(C)CC=CC1
InChIInChI=1S/C10H16/c1-3-6-10-8-5-4-7-9(10)2/h4-5H,3,6-8H2,1-2H3
InChIKeyWNSQZUTZNPFCQJ-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
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

1-butyl-2-methylcyclopenta-1,3-diene
CID 11252040
1,6-dihexyl-2-methylcyclohepta-1,4-diene
CID 101427579
bis(1-butyl-2-methylcyclopenta-1,3-diene);zirconium(2+);dichloride
CID 159165203
1-ethyl-2-methylcyclopenta-1,3-diene
CID 18355720
CID 161173679
CID 161173679
(4Z)-4-ethylidene-1-methyl-2-propylcyclopentene;heptane;propane
CID 144561487
1-ethyl-2-methylcyclohepta-1,3,5-triene
CID 143683160
3-methyl-1-propylcyclopenta-1,3-diene
CID 18314972
1,2-dipropylcyclohepta-1,3-diene
CID 175557137
(5-methyl-4-propylcyclopenta-1,4-dien-1-yl)methylbenzene
CID 159279644
2-(3-ethylhexan-3-yl)-1-methylcyclopenta-1,3-diene
CID 143498372
4-methyl-3-propyl-1,2-thiazole
CID 143329502

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propylcyclohexa-1,4-diene?
The IUPAC name of 1-methyl-2-propylcyclohexa-1,4-diene (CID 165065893) is 1-methyl-2-propylcyclohexa-1,4-diene.
What is the SMILES notation for 1-methyl-2-propylcyclohexa-1,4-diene?
The canonical SMILES for 1-methyl-2-propylcyclohexa-1,4-diene is CCCC1=C(C)CC=CC1.
What is the InChIKey of 1-methyl-2-propylcyclohexa-1,4-diene?
The InChIKey is WNSQZUTZNPFCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-3-6-10-8-5-4-7-9(10)2/h4-5H,3,6-8H2,1-2H3.
What are the key properties of 1-methyl-2-propylcyclohexa-1,4-diene?
1-methyl-2-propylcyclohexa-1,4-diene has a molecular weight of 136.24 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propylcyclohexa-1,4-diene is sourced from PubChem (CID 165065893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).