(3S,6R)-3,6-diethoxycyclohexene

C10H18O2 — CID 10931862

IUPAC(3S,6R)-3,6-diethoxycyclohexene
SMILESCCO[C@@H]1C=C[C@H](OCC)CC1
InChIInChI=1S/C10H18O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5,7,9-10H,3-4,6,8H2,1-2H3/t9-,10+
InChIKeyWEBGHMJGXDZMHT-AOOOYVTPSA-N
MW170.25 g/mol
LogP2.15
Rot. Bonds4

About (3S,6R)-3,6-diethoxycyclohexene

(3S,6R)-3,6-diethoxycyclohexene (PubChem CID 10931862) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3S,6R)-3,6-diethoxycyclohexene.

Molecular Properties

Compound Name(3S,6R)-3,6-diethoxycyclohexene
PubChem CID10931862
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3S,6R)-3,6-diethoxycyclohexene
SMILESCCO[C@@H]1C=C[C@H](OCC)CC1
InChIInChI=1S/C10H18O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5,7,9-10H,3-4,6,8H2,1-2H3/t9-,10+
InChIKeyWEBGHMJGXDZMHT-AOOOYVTPSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (3S,6R)-3,6-diethoxycyclohexene?
The IUPAC name of (3S,6R)-3,6-diethoxycyclohexene (CID 10931862) is (3S,6R)-3,6-diethoxycyclohexene.
What is the SMILES notation for (3S,6R)-3,6-diethoxycyclohexene?
The canonical SMILES for (3S,6R)-3,6-diethoxycyclohexene is CCO[C@@H]1C=C[C@H](OCC)CC1.
What is the InChIKey of (3S,6R)-3,6-diethoxycyclohexene?
The InChIKey is WEBGHMJGXDZMHT-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5,7,9-10H,3-4,6,8H2,1-2H3/t9-,10+.
What are the key properties of (3S,6R)-3,6-diethoxycyclohexene?
(3S,6R)-3,6-diethoxycyclohexene has a molecular weight of 170.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-3,6-diethoxycyclohexene is sourced from PubChem (CID 10931862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).