(6R)-2-ethoxy-6-methylcyclohexa-1,3-diene

C9H14O — CID 70215194

IUPAC(6R)-2-ethoxy-6-methylcyclohexa-1,3-diene
SMILESCCOC1=C[C@H](C)CC=C1
InChIInChI=1S/C9H14O/c1-3-10-9-6-4-5-8(2)7-9/h4,6-8H,3,5H2,1-2H3/t8-/m1/s1
InChIKeyIGHHLVJACOHESL-MRVPVSSYSA-N
MW138.21 g/mol
LogP2.50
Rot. Bonds2

About (6R)-2-ethoxy-6-methylcyclohexa-1,3-diene

(6R)-2-ethoxy-6-methylcyclohexa-1,3-diene (PubChem CID 70215194) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (6R)-2-ethoxy-6-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(6R)-2-ethoxy-6-methylcyclohexa-1,3-diene
PubChem CID70215194
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(6R)-2-ethoxy-6-methylcyclohexa-1,3-diene
SMILESCCOC1=C[C@H](C)CC=C1
InChIInChI=1S/C9H14O/c1-3-10-9-6-4-5-8(2)7-9/h4,6-8H,3,5H2,1-2H3/t8-/m1/s1
InChIKeyIGHHLVJACOHESL-MRVPVSSYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-ethoxy-6-methylcyclohexa-1,3-diene?
The IUPAC name of (6R)-2-ethoxy-6-methylcyclohexa-1,3-diene (CID 70215194) is (6R)-2-ethoxy-6-methylcyclohexa-1,3-diene.
What is the SMILES notation for (6R)-2-ethoxy-6-methylcyclohexa-1,3-diene?
The canonical SMILES for (6R)-2-ethoxy-6-methylcyclohexa-1,3-diene is CCOC1=C[C@H](C)CC=C1.
What is the InChIKey of (6R)-2-ethoxy-6-methylcyclohexa-1,3-diene?
The InChIKey is IGHHLVJACOHESL-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-10-9-6-4-5-8(2)7-9/h4,6-8H,3,5H2,1-2H3/t8-/m1/s1.
What are the key properties of (6R)-2-ethoxy-6-methylcyclohexa-1,3-diene?
(6R)-2-ethoxy-6-methylcyclohexa-1,3-diene has a molecular weight of 138.21 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-ethoxy-6-methylcyclohexa-1,3-diene is sourced from PubChem (CID 70215194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).