(3R,5R)-5-ethyl-3-methoxycyclohexene

C9H16O — CID 170644305

IUPAC(3R,5R)-5-ethyl-3-methoxycyclohexene
SMILESCC[C@@H]1CC=C[C@H](OC)C1
InChIInChI=1S/C9H16O/c1-3-8-5-4-6-9(7-8)10-2/h4,6,8-9H,3,5,7H2,1-2H3/t8-,9+/m1/s1
InChIKeyOQLNWOIGZOFSRO-BDAKNGLRSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds2

About (3R,5R)-5-ethyl-3-methoxycyclohexene

(3R,5R)-5-ethyl-3-methoxycyclohexene (PubChem CID 170644305) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (3R,5R)-5-ethyl-3-methoxycyclohexene.

Molecular Properties

Compound Name(3R,5R)-5-ethyl-3-methoxycyclohexene
PubChem CID170644305
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(3R,5R)-5-ethyl-3-methoxycyclohexene
SMILESCC[C@@H]1CC=C[C@H](OC)C1
InChIInChI=1S/C9H16O/c1-3-8-5-4-6-9(7-8)10-2/h4,6,8-9H,3,5,7H2,1-2H3/t8-,9+/m1/s1
InChIKeyOQLNWOIGZOFSRO-BDAKNGLRSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-ethyl-3-methoxycyclohexene?
The IUPAC name of (3R,5R)-5-ethyl-3-methoxycyclohexene (CID 170644305) is (3R,5R)-5-ethyl-3-methoxycyclohexene.
What is the SMILES notation for (3R,5R)-5-ethyl-3-methoxycyclohexene?
The canonical SMILES for (3R,5R)-5-ethyl-3-methoxycyclohexene is CC[C@@H]1CC=C[C@H](OC)C1.
What is the InChIKey of (3R,5R)-5-ethyl-3-methoxycyclohexene?
The InChIKey is OQLNWOIGZOFSRO-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H16O/c1-3-8-5-4-6-9(7-8)10-2/h4,6,8-9H,3,5,7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (3R,5R)-5-ethyl-3-methoxycyclohexene?
(3R,5R)-5-ethyl-3-methoxycyclohexene has a molecular weight of 140.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-ethyl-3-methoxycyclohexene is sourced from PubChem (CID 170644305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).