5-ethyl-5,6-dimethylcyclohexa-1,3-diene

C10H16 — CID 23311940

IUPAC5-ethyl-5,6-dimethylcyclohexa-1,3-diene
SMILESCCC1(C)C=CC=CC1C
InChIInChI=1S/C10H16/c1-4-10(3)8-6-5-7-9(10)2/h5-9H,4H2,1-3H3
InChIKeyNCOIZTQVIXELOA-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.16
Rot. Bonds1

About 5-ethyl-5,6-dimethylcyclohexa-1,3-diene

5-ethyl-5,6-dimethylcyclohexa-1,3-diene (PubChem CID 23311940) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 5-ethyl-5,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethyl-5,6-dimethylcyclohexa-1,3-diene
PubChem CID23311940
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name5-ethyl-5,6-dimethylcyclohexa-1,3-diene
SMILESCCC1(C)C=CC=CC1C
InChIInChI=1S/C10H16/c1-4-10(3)8-6-5-7-9(10)2/h5-9H,4H2,1-3H3
InChIKeyNCOIZTQVIXELOA-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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

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Related Compounds

alpha-PHELLANDRENE
CID 7460
alpha-PHELLANDRENE, (-)-
CID 442482
(+)-alpha-Phellandrene
CID 443160
1,3-Cyclohexadiene, 1,5,5,6-tetramethyl-
CID 10581
(-)-Zingiberene
CID 92776
4-Tert-butylcyclohex-1-ene
CID 16688
1,3,5,5-Tetramethyl-1,3-cyclohexadiene
CID 78453
3,5,5-Trimethylcyclohexene
CID 79132
Delta-Carotene
CID 6384254
epsilon,psi-Carotene, (6R)-
CID 5281230
Alpha-Zingiberene
CID 11127403
2-Methyl-5-(6-methylhept-5-en-2-yl)cyclohexa-1,3-diene
CID 521253

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of 5-ethyl-5,6-dimethylcyclohexa-1,3-diene (CID 23311940) is 5-ethyl-5,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 5-ethyl-5,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 5-ethyl-5,6-dimethylcyclohexa-1,3-diene is CCC1(C)C=CC=CC1C.
What is the InChIKey of 5-ethyl-5,6-dimethylcyclohexa-1,3-diene?
The InChIKey is NCOIZTQVIXELOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-4-10(3)8-6-5-7-9(10)2/h5-9H,4H2,1-3H3.
What are the key properties of 5-ethyl-5,6-dimethylcyclohexa-1,3-diene?
5-ethyl-5,6-dimethylcyclohexa-1,3-diene has a molecular weight of 136.24 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 23311940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).