(1S,2R,4S,5S)-1,2,3,4,5-pentaethoxycyclohexane

C16H32O5 — CID 118346921

IUPAC(1S,2R,4S,5S)-1,2,3,4,5-pentaethoxycyclohexane
SMILESCCOC1[C@@H](OCC)[C@@H](OCC)C[C@H](OCC)[C@H]1OCC
InChIInChI=1S/C16H32O5/c1-6-17-12-11-13(18-7-2)15(20-9-4)16(21-10-5)14(12)19-8-3/h12-16H,6-11H2,1-5H3/t12-,13-,14-,15+,16?/m0/s1
InChIKeyRZLOEEFRGRVZQJ-WDFJATGCSA-N
MW304.43 g/mol
LogP2.42
Rot. Bonds10

About (1S,2R,4S,5S)-1,2,3,4,5-pentaethoxycyclohexane

(1S,2R,4S,5S)-1,2,3,4,5-pentaethoxycyclohexane (PubChem CID 118346921) has the molecular formula C16H32O5 and a molecular weight of 304.43 g/mol. Its IUPAC name is (1S,2R,4S,5S)-1,2,3,4,5-pentaethoxycyclohexane.

Molecular Properties

Compound Name(1S,2R,4S,5S)-1,2,3,4,5-pentaethoxycyclohexane
PubChem CID118346921
Molecular FormulaC16H32O5
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(1S,2R,4S,5S)-1,2,3,4,5-pentaethoxycyclohexane
SMILESCCOC1[C@@H](OCC)[C@@H](OCC)C[C@H](OCC)[C@H]1OCC
InChIInChI=1S/C16H32O5/c1-6-17-12-11-13(18-7-2)15(20-9-4)16(21-10-5)14(12)19-8-3/h12-16H,6-11H2,1-5H3/t12-,13-,14-,15+,16?/m0/s1
InChIKeyRZLOEEFRGRVZQJ-WDFJATGCSA-N
XLogP2.42
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-1,2-diethoxycyclohexane
CID 13170081
1-chloro-2-ethoxy-3-(2-ethoxyethoxy)cyclobutane
CID 104675598
cis-(1S,2R)-1-ethenyl-2-ethoxycyclopropane
CID 71389327
(2-ethoxycyclopropyl)methanol
CID 13465027
3,4-diethoxyoxolane
CID 14307969
1-bromo-3-ethoxy-2-propoxycyclobutane
CID 107942786
2-ethoxybicyclo[2.2.2]octane
CID 13239318
1-ethoxy-2-(2-methylpropyl)cyclopropane
CID 158408023
2-ethoxy-3-[2-(2-methoxyethoxy)ethoxy]cyclobutan-1-amine
CID 104676703
(3S,4R)-3,4-diethoxypyrrolidine;hydrochloride
CID 66592002
trans-(1R,2R)-2-ethoxycyclopropane-1-carboxylic acid
CID 39872362
3-(2-butoxyethoxy)-2-ethoxycyclobutan-1-ol
CID 104675355

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S,5S)-1,2,3,4,5-pentaethoxycyclohexane?
The IUPAC name of (1S,2R,4S,5S)-1,2,3,4,5-pentaethoxycyclohexane (CID 118346921) is (1S,2R,4S,5S)-1,2,3,4,5-pentaethoxycyclohexane.
What is the SMILES notation for (1S,2R,4S,5S)-1,2,3,4,5-pentaethoxycyclohexane?
The canonical SMILES for (1S,2R,4S,5S)-1,2,3,4,5-pentaethoxycyclohexane is CCOC1[C@@H](OCC)[C@@H](OCC)C[C@H](OCC)[C@H]1OCC.
What is the InChIKey of (1S,2R,4S,5S)-1,2,3,4,5-pentaethoxycyclohexane?
The InChIKey is RZLOEEFRGRVZQJ-WDFJATGCSA-N. The full InChI is InChI=1S/C16H32O5/c1-6-17-12-11-13(18-7-2)15(20-9-4)16(21-10-5)14(12)19-8-3/h12-16H,6-11H2,1-5H3/t12-,13-,14-,15+,16?/m0/s1.
What are the key properties of (1S,2R,4S,5S)-1,2,3,4,5-pentaethoxycyclohexane?
(1S,2R,4S,5S)-1,2,3,4,5-pentaethoxycyclohexane has a molecular weight of 304.43 g/mol, XLogP of 2.42, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S,5S)-1,2,3,4,5-pentaethoxycyclohexane is sourced from PubChem (CID 118346921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).