(5S)-1-methoxy-5-methylcyclohexa-1,3-diene

C8H12O — CID 70326868

IUPAC(5S)-1-methoxy-5-methylcyclohexa-1,3-diene
SMILESCOC1=CC=C[C@@H](C)C1
InChIInChI=1S/C8H12O/c1-7-4-3-5-8(6-7)9-2/h3-5,7H,6H2,1-2H3/t7-/m1/s1
InChIKeyIYCBFWUCKUQMDV-SSDOTTSWSA-N
MW124.18 g/mol
LogP2.11
Rot. Bonds1

About (5S)-1-methoxy-5-methylcyclohexa-1,3-diene

(5S)-1-methoxy-5-methylcyclohexa-1,3-diene (PubChem CID 70326868) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (5S)-1-methoxy-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(5S)-1-methoxy-5-methylcyclohexa-1,3-diene
PubChem CID70326868
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(5S)-1-methoxy-5-methylcyclohexa-1,3-diene
SMILESCOC1=CC=C[C@@H](C)C1
InChIInChI=1S/C8H12O/c1-7-4-3-5-8(6-7)9-2/h3-5,7H,6H2,1-2H3/t7-/m1/s1
InChIKeyIYCBFWUCKUQMDV-SSDOTTSWSA-N
XLogP2.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-1-methoxycyclohexa-1,3-diene
CID 22747502
1-methoxy-5-propan-2-ylcyclohexa-1,3-diene
CID 145017511
methyl 4-(5-methylcyclohexa-1,3-dien-1-yl)oxybutanoate
CID 71219273
5-methylcyclohexa-1,3-dien-1-amine
CID 67612284
1-ethyl-5-methylcyclohexa-1,3-diene
CID 123887743
5-methylcyclohexa-1,3-diene-1-carbaldehyde
CID 71400816
1-methoxy-3,5-dimethylcyclohexa-1,3-diene
CID 13418692
1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole-2,5-dione
CID 66669295
N,5-dimethyl-N-oxidocyclohexa-1,3-dien-1-amine
CID 163587303
5-methylcyclohexa-1,3-diene-1-sulfonamide
CID 134238552
4-methoxy-2,7-dimethyl-2,3-dihydro-1H-azepine
CID 166779740
1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole
CID 142108490

Frequently Asked Questions

What is the IUPAC name of (5S)-1-methoxy-5-methylcyclohexa-1,3-diene?
The IUPAC name of (5S)-1-methoxy-5-methylcyclohexa-1,3-diene (CID 70326868) is (5S)-1-methoxy-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for (5S)-1-methoxy-5-methylcyclohexa-1,3-diene?
The canonical SMILES for (5S)-1-methoxy-5-methylcyclohexa-1,3-diene is COC1=CC=C[C@@H](C)C1.
What is the InChIKey of (5S)-1-methoxy-5-methylcyclohexa-1,3-diene?
The InChIKey is IYCBFWUCKUQMDV-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12O/c1-7-4-3-5-8(6-7)9-2/h3-5,7H,6H2,1-2H3/t7-/m1/s1.
What are the key properties of (5S)-1-methoxy-5-methylcyclohexa-1,3-diene?
(5S)-1-methoxy-5-methylcyclohexa-1,3-diene has a molecular weight of 124.18 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-methoxy-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 70326868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).