4,5-dimethoxy-1-propylcyclohexa-1,3-diene

C11H18O2 — CID 142112268

IUPAC4,5-dimethoxy-1-propylcyclohexa-1,3-diene
SMILESCCCC1=CC=C(OC)C(OC)C1
InChIInChI=1S/C11H18O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h6-7,11H,4-5,8H2,1-3H3
InChIKeyWWYNDEOMXQRJLI-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.66
Rot. Bonds4

About 4,5-dimethoxy-1-propylcyclohexa-1,3-diene

4,5-dimethoxy-1-propylcyclohexa-1,3-diene (PubChem CID 142112268) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 4,5-dimethoxy-1-propylcyclohexa-1,3-diene.

Molecular Properties

Compound Name4,5-dimethoxy-1-propylcyclohexa-1,3-diene
PubChem CID142112268
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name4,5-dimethoxy-1-propylcyclohexa-1,3-diene
SMILESCCCC1=CC=C(OC)C(OC)C1
InChIInChI=1S/C11H18O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h6-7,11H,4-5,8H2,1-3H3
InChIKeyWWYNDEOMXQRJLI-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dipropylcyclopenta-1,3-diene
CID 19391248
1,2,4,5-tetramethoxycyclohexa-1,3-diene
CID 149114615
5-propyl-3a,4-dihydro-1,3-benzodioxole
CID 142011914
1-ethyl-4-propylcyclopenta-1,3-diene
CID 139667468
2-chloro-4,5-dimethoxycyclohexa-1,5-diene-1-carbaldehyde
CID 143712862
1-methyl-4-propylcyclopenta-1,3-diene
CID 18798459
4-propylcyclohexa-1,3-dien-1-ol
CID 129018446
1-fluoro-4-propylcyclohexa-1,3-diene
CID 89167431
(9aS)-8-propyl-9,9a-dihydrobenzo[e][1]benzofuran
CID 100992458
2-[(4,5-dimethoxycyclohexa-1,3-dien-1-yl)iminomethyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CID 137203858
3-[(6,7-dimethoxy-1-propyl-5,6-dihydroisoquinolin-4-yl)methyl]-5-(trifluoromethyl)quinolin-6-ol
CID 144620234
4,5-ditert-butyl-1-propylcyclohexene
CID 59036734

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-1-propylcyclohexa-1,3-diene?
The IUPAC name of 4,5-dimethoxy-1-propylcyclohexa-1,3-diene (CID 142112268) is 4,5-dimethoxy-1-propylcyclohexa-1,3-diene.
What is the SMILES notation for 4,5-dimethoxy-1-propylcyclohexa-1,3-diene?
The canonical SMILES for 4,5-dimethoxy-1-propylcyclohexa-1,3-diene is CCCC1=CC=C(OC)C(OC)C1.
What is the InChIKey of 4,5-dimethoxy-1-propylcyclohexa-1,3-diene?
The InChIKey is WWYNDEOMXQRJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h6-7,11H,4-5,8H2,1-3H3.
What are the key properties of 4,5-dimethoxy-1-propylcyclohexa-1,3-diene?
4,5-dimethoxy-1-propylcyclohexa-1,3-diene has a molecular weight of 182.26 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-1-propylcyclohexa-1,3-diene is sourced from PubChem (CID 142112268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).