(5R,6S)-5,6-dimethoxy-1-methylcyclohexa-1,3-diene

C9H14O2 — CID 134888610

IUPAC(5R,6S)-5,6-dimethoxy-1-methylcyclohexa-1,3-diene
SMILESCO[C@@H]1C=CC=C(C)[C@@H]1OC
InChIInChI=1S/C9H14O2/c1-7-5-4-6-8(10-2)9(7)11-3/h4-6,8-9H,1-3H3/t8-,9+/m1/s1
InChIKeyTWOZVOMGDJYORC-BDAKNGLRSA-N
MW154.21 g/mol
LogP1.53
Rot. Bonds2

About (5R,6S)-5,6-dimethoxy-1-methylcyclohexa-1,3-diene

(5R,6S)-5,6-dimethoxy-1-methylcyclohexa-1,3-diene (PubChem CID 134888610) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (5R,6S)-5,6-dimethoxy-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(5R,6S)-5,6-dimethoxy-1-methylcyclohexa-1,3-diene
PubChem CID134888610
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(5R,6S)-5,6-dimethoxy-1-methylcyclohexa-1,3-diene
SMILESCO[C@@H]1C=CC=C(C)[C@@H]1OC
InChIInChI=1S/C9H14O2/c1-7-5-4-6-8(10-2)9(7)11-3/h4-6,8-9H,1-3H3/t8-,9+/m1/s1
InChIKeyTWOZVOMGDJYORC-BDAKNGLRSA-N
XLogP1.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzene, dihydro-4-allyl-1,2-dimethoxy-
CID 3053286
Quinceoxepine
CID 131752304
5-Methoxy-2-prop-1-enylcyclohexa-1,3-diene
CID 20975449
5,6,6-Trimethoxy-2-prop-2-enylcyclohexa-1,3-diene
CID 163192813
2,3,6,7-Tetrahydro-4-methyl-2-((1E)-3-methyl-1,3-butadien-1-yl)oxepin
CID 14805464
(5R,6S)-5,6-diethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 134888606
(5R,6S)-5,6-dimethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 134889152
carbon monoxide;(5R,6S)-5,6-dimethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene;iron
CID 134899788
carbon monoxide;(5R,6S)-5,6-diethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene;iron
CID 134899789
[(1R,6S)-6-acetyloxy-5-methylcyclohexa-2,4-dien-1-yl] acetate
CID 54452049
1,2-Dimethoxytoluene
CID 67729139
5-Fluoro-5,6-dimethoxycyclohexa-1,3-diene
CID 19777442

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5,6-dimethoxy-1-methylcyclohexa-1,3-diene?
The IUPAC name of (5R,6S)-5,6-dimethoxy-1-methylcyclohexa-1,3-diene (CID 134888610) is (5R,6S)-5,6-dimethoxy-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for (5R,6S)-5,6-dimethoxy-1-methylcyclohexa-1,3-diene?
The canonical SMILES for (5R,6S)-5,6-dimethoxy-1-methylcyclohexa-1,3-diene is CO[C@@H]1C=CC=C(C)[C@@H]1OC.
What is the InChIKey of (5R,6S)-5,6-dimethoxy-1-methylcyclohexa-1,3-diene?
The InChIKey is TWOZVOMGDJYORC-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H14O2/c1-7-5-4-6-8(10-2)9(7)11-3/h4-6,8-9H,1-3H3/t8-,9+/m1/s1.
What are the key properties of (5R,6S)-5,6-dimethoxy-1-methylcyclohexa-1,3-diene?
(5R,6S)-5,6-dimethoxy-1-methylcyclohexa-1,3-diene has a molecular weight of 154.21 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5,6-dimethoxy-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 134888610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).