(5R)-5-methylcyclohexa-1,3-diene

C7H10 — CID 12599171

IUPAC(5R)-5-methylcyclohexa-1,3-diene
SMILESC[C@H]1C=CC=CC1
InChIInChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-5,7H,6H2,1H3/t7-/m0/s1
InChIKeyZNKKYYNWFKHNHZ-ZETCQYMHSA-N
MW94.16 g/mol
LogP2.14
Rot. Bonds

About (5R)-5-methylcyclohexa-1,3-diene

(5R)-5-methylcyclohexa-1,3-diene (PubChem CID 12599171) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is (5R)-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(5R)-5-methylcyclohexa-1,3-diene
PubChem CID12599171
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name(5R)-5-methylcyclohexa-1,3-diene
SMILESC[C@H]1C=CC=CC1
InChIInChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-5,7H,6H2,1H3/t7-/m0/s1
InChIKeyZNKKYYNWFKHNHZ-ZETCQYMHSA-N
XLogP2.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methylcyclohexa-1,3-diene?
The IUPAC name of (5R)-5-methylcyclohexa-1,3-diene (CID 12599171) is (5R)-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for (5R)-5-methylcyclohexa-1,3-diene?
The canonical SMILES for (5R)-5-methylcyclohexa-1,3-diene is C[C@H]1C=CC=CC1.
What is the InChIKey of (5R)-5-methylcyclohexa-1,3-diene?
The InChIKey is ZNKKYYNWFKHNHZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-5,7H,6H2,1H3/t7-/m0/s1.
What are the key properties of (5R)-5-methylcyclohexa-1,3-diene?
(5R)-5-methylcyclohexa-1,3-diene has a molecular weight of 94.16 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 12599171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).