cis-(1R,3S)-1,3-bis(ethoxymethyl)cyclohexane

C12H24O2 — CID 71203648

IUPACcis-(1R,3S)-1,3-bis(ethoxymethyl)cyclohexane
SMILESCCOC[C@H]1CCC[C@@H](COCC)C1
InChIInChI=1S/C12H24O2/c1-3-13-9-11-6-5-7-12(8-11)10-14-4-2/h11-12H,3-10H2,1-2H3/t11-,12+
InChIKeyRERMLTLIFJAUMD-TXEJJXNPSA-N
MW200.32 g/mol
LogP2.87
Rot. Bonds6

About cis-(1R,3S)-1,3-bis(ethoxymethyl)cyclohexane

cis-(1R,3S)-1,3-bis(ethoxymethyl)cyclohexane (PubChem CID 71203648) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is cis-(1R,3S)-1,3-bis(ethoxymethyl)cyclohexane.

Molecular Properties

Compound Namecis-(1R,3S)-1,3-bis(ethoxymethyl)cyclohexane
PubChem CID71203648
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Namecis-(1R,3S)-1,3-bis(ethoxymethyl)cyclohexane
SMILESCCOC[C@H]1CCC[C@@H](COCC)C1
InChIInChI=1S/C12H24O2/c1-3-13-9-11-6-5-7-12(8-11)10-14-4-2/h11-12H,3-10H2,1-2H3/t11-,12+
InChIKeyRERMLTLIFJAUMD-TXEJJXNPSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-1,3-bis(ethoxymethyl)cyclohexane?
The IUPAC name of cis-(1R,3S)-1,3-bis(ethoxymethyl)cyclohexane (CID 71203648) is cis-(1R,3S)-1,3-bis(ethoxymethyl)cyclohexane.
What is the SMILES notation for cis-(1R,3S)-1,3-bis(ethoxymethyl)cyclohexane?
The canonical SMILES for cis-(1R,3S)-1,3-bis(ethoxymethyl)cyclohexane is CCOC[C@H]1CCC[C@@H](COCC)C1.
What is the InChIKey of cis-(1R,3S)-1,3-bis(ethoxymethyl)cyclohexane?
The InChIKey is RERMLTLIFJAUMD-TXEJJXNPSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-13-9-11-6-5-7-12(8-11)10-14-4-2/h11-12H,3-10H2,1-2H3/t11-,12+.
What are the key properties of cis-(1R,3S)-1,3-bis(ethoxymethyl)cyclohexane?
cis-(1R,3S)-1,3-bis(ethoxymethyl)cyclohexane has a molecular weight of 200.32 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-1,3-bis(ethoxymethyl)cyclohexane is sourced from PubChem (CID 71203648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).