(5R)-5-ethyl-1,3-dimethoxycyclohexa-1,3-diene

C10H16O2 — CID 70219242

IUPAC(5R)-5-ethyl-1,3-dimethoxycyclohexa-1,3-diene
SMILESCC[C@H]1C=C(OC)C=C(OC)C1
InChIInChI=1S/C10H16O2/c1-4-8-5-9(11-2)7-10(6-8)12-3/h5,7-8H,4,6H2,1-3H3/t8-/m0/s1
InChIKeyZXNFLMCMZNQUSV-QMMMGPOBSA-N
MW168.24 g/mol
LogP2.48
Rot. Bonds3

About (5R)-5-ethyl-1,3-dimethoxycyclohexa-1,3-diene

(5R)-5-ethyl-1,3-dimethoxycyclohexa-1,3-diene (PubChem CID 70219242) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (5R)-5-ethyl-1,3-dimethoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name(5R)-5-ethyl-1,3-dimethoxycyclohexa-1,3-diene
PubChem CID70219242
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(5R)-5-ethyl-1,3-dimethoxycyclohexa-1,3-diene
SMILESCC[C@H]1C=C(OC)C=C(OC)C1
InChIInChI=1S/C10H16O2/c1-4-8-5-9(11-2)7-10(6-8)12-3/h5,7-8H,4,6H2,1-3H3/t8-/m0/s1
InChIKeyZXNFLMCMZNQUSV-QMMMGPOBSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-1,3-dimethoxycyclohexa-1,3-diene?
The IUPAC name of (5R)-5-ethyl-1,3-dimethoxycyclohexa-1,3-diene (CID 70219242) is (5R)-5-ethyl-1,3-dimethoxycyclohexa-1,3-diene.
What is the SMILES notation for (5R)-5-ethyl-1,3-dimethoxycyclohexa-1,3-diene?
The canonical SMILES for (5R)-5-ethyl-1,3-dimethoxycyclohexa-1,3-diene is CC[C@H]1C=C(OC)C=C(OC)C1.
What is the InChIKey of (5R)-5-ethyl-1,3-dimethoxycyclohexa-1,3-diene?
The InChIKey is ZXNFLMCMZNQUSV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-8-5-9(11-2)7-10(6-8)12-3/h5,7-8H,4,6H2,1-3H3/t8-/m0/s1.
What are the key properties of (5R)-5-ethyl-1,3-dimethoxycyclohexa-1,3-diene?
(5R)-5-ethyl-1,3-dimethoxycyclohexa-1,3-diene has a molecular weight of 168.24 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-1,3-dimethoxycyclohexa-1,3-diene is sourced from PubChem (CID 70219242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).