ethane;3-ethyl-5-methyl-1-propylcyclohexa-1,3-diene

C14H26 — CID 142361347

IUPACethane;3-ethyl-5-methyl-1-propylcyclohexa-1,3-diene
SMILESCC.CCCC1=CC(CC)=CC(C)C1
InChIInChI=1S/C12H20.C2H6/c1-4-6-12-8-10(3)7-11(5-2)9-12;1-2/h7,9-10H,4-6,8H2,1-3H3;1-2H3
InChIKeyRPIHORYYDAFIOH-UHFFFAOYSA-N
MW194.36 g/mol
LogP5.12
Rot. Bonds3

About ethane;3-ethyl-5-methyl-1-propylcyclohexa-1,3-diene

ethane;3-ethyl-5-methyl-1-propylcyclohexa-1,3-diene (PubChem CID 142361347) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is ethane;3-ethyl-5-methyl-1-propylcyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;3-ethyl-5-methyl-1-propylcyclohexa-1,3-diene
PubChem CID142361347
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Nameethane;3-ethyl-5-methyl-1-propylcyclohexa-1,3-diene
SMILESCC.CCCC1=CC(CC)=CC(C)C1
InChIInChI=1S/C12H20.C2H6/c1-4-6-12-8-10(3)7-11(5-2)9-12;1-2/h7,9-10H,4-6,8H2,1-3H3;1-2H3
InChIKeyRPIHORYYDAFIOH-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.36
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethyl-5-methyl-1-pentylcyclohexa-1,3-diene
CID 163991367
3-ethyl-5-methyl-1-nitrocyclohexa-1,3-diene
CID 129312910
2,6-dimethyl-4-propylcyclohex-3-en-1-amine
CID 123458778
tetrakis(1,3-dipropylcyclopenta-1,3-diene);zirconium;dichloride
CID 22617565
5-(5,5-dimethylhexyl)-3-methylcyclohexa-1,5-dien-1-amine
CID 146429544
6-butoxy-3-ethylbicyclo[3.1.1]hepta-1,3-diene
CID 89281159
(3,5-dimethylcyclohexa-1,3-dien-1-yl)methanol
CID 142213617
ethane;6-methyl-8-propyl-5,6-dihydronaphthalen-1-ol
CID 170960138
3-ethyl-7-propyl-1,2,5,6-tetrahydronaphthalene
CID 123379197
1,5-dimethyl-3-propylcyclopenta-1,3-diene
CID 18798416
1-ethyl-5-methylcyclohexa-1,3-diene
CID 123887743
1-ethyl-4-propylcyclopenta-1,3-diene
CID 139667468

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-5-methyl-1-propylcyclohexa-1,3-diene?
The IUPAC name of ethane;3-ethyl-5-methyl-1-propylcyclohexa-1,3-diene (CID 142361347) is ethane;3-ethyl-5-methyl-1-propylcyclohexa-1,3-diene.
What is the SMILES notation for ethane;3-ethyl-5-methyl-1-propylcyclohexa-1,3-diene?
The canonical SMILES for ethane;3-ethyl-5-methyl-1-propylcyclohexa-1,3-diene is CC.CCCC1=CC(CC)=CC(C)C1.
What is the InChIKey of ethane;3-ethyl-5-methyl-1-propylcyclohexa-1,3-diene?
The InChIKey is RPIHORYYDAFIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20.C2H6/c1-4-6-12-8-10(3)7-11(5-2)9-12;1-2/h7,9-10H,4-6,8H2,1-3H3;1-2H3.
What are the key properties of ethane;3-ethyl-5-methyl-1-propylcyclohexa-1,3-diene?
ethane;3-ethyl-5-methyl-1-propylcyclohexa-1,3-diene has a molecular weight of 194.36 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-5-methyl-1-propylcyclohexa-1,3-diene is sourced from PubChem (CID 142361347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).