cis-(3S,5S)-3-ethoxy-1,1,5-trimethylcyclohexane

C11H22O — CID 14984841

IUPACcis-(3S,5S)-3-ethoxy-1,1,5-trimethylcyclohexane
SMILESCCO[C@H]1C[C@@H](C)CC(C)(C)C1
InChIInChI=1S/C11H22O/c1-5-12-10-6-9(2)7-11(3,4)8-10/h9-10H,5-8H2,1-4H3/t9-,10+/m1/s1
InChIKeyJVBNHJDWWBSWLE-ZJUUUORDSA-N
MW170.30 g/mol
LogP3.24
Rot. Bonds2

About cis-(3S,5S)-3-ethoxy-1,1,5-trimethylcyclohexane

cis-(3S,5S)-3-ethoxy-1,1,5-trimethylcyclohexane (PubChem CID 14984841) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is cis-(3S,5S)-3-ethoxy-1,1,5-trimethylcyclohexane.

Molecular Properties

Compound Namecis-(3S,5S)-3-ethoxy-1,1,5-trimethylcyclohexane
PubChem CID14984841
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Namecis-(3S,5S)-3-ethoxy-1,1,5-trimethylcyclohexane
SMILESCCO[C@H]1C[C@@H](C)CC(C)(C)C1
InChIInChI=1S/C11H22O/c1-5-12-10-6-9(2)7-11(3,4)8-10/h9-10H,5-8H2,1-4H3/t9-,10+/m1/s1
InChIKeyJVBNHJDWWBSWLE-ZJUUUORDSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(3S,5S)-3-ethoxy-1,1,5-trimethylcyclohexane?
The IUPAC name of cis-(3S,5S)-3-ethoxy-1,1,5-trimethylcyclohexane (CID 14984841) is cis-(3S,5S)-3-ethoxy-1,1,5-trimethylcyclohexane.
What is the SMILES notation for cis-(3S,5S)-3-ethoxy-1,1,5-trimethylcyclohexane?
The canonical SMILES for cis-(3S,5S)-3-ethoxy-1,1,5-trimethylcyclohexane is CCO[C@H]1C[C@@H](C)CC(C)(C)C1.
What is the InChIKey of cis-(3S,5S)-3-ethoxy-1,1,5-trimethylcyclohexane?
The InChIKey is JVBNHJDWWBSWLE-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H22O/c1-5-12-10-6-9(2)7-11(3,4)8-10/h9-10H,5-8H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of cis-(3S,5S)-3-ethoxy-1,1,5-trimethylcyclohexane?
cis-(3S,5S)-3-ethoxy-1,1,5-trimethylcyclohexane has a molecular weight of 170.30 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3S,5S)-3-ethoxy-1,1,5-trimethylcyclohexane is sourced from PubChem (CID 14984841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).