(1S,2S,6S)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexane-1,2-diol

C18H32O6 — CID 10545397

IUPAC(1S,2S,6S)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexane-1,2-diol
SMILESCCOCO[C@H]1CCCC=C1[C@@]1(O)[C@@H](OCOCC)CCC[C@@H]1O
InChIInChI=1S/C18H32O6/c1-3-21-12-23-15-9-6-5-8-14(15)18(20)16(19)10-7-11-17(18)24-13-22-4-2/h8,15-17,19-20H,3-7,9-13H2,1-2H3/t15-,16-,17-,18-/m0/s1
InChIKeyNYLUACWOUMFWPV-XSLAGTTESA-N
MW344.45 g/mol
LogP2.13
Rot. Bonds9

About (1S,2S,6S)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexane-1,2-diol

(1S,2S,6S)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexane-1,2-diol (PubChem CID 10545397) has the molecular formula C18H32O6 and a molecular weight of 344.45 g/mol. Its IUPAC name is (1S,2S,6S)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexane-1,2-diol.

Molecular Properties

Compound Name(1S,2S,6S)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexane-1,2-diol
PubChem CID10545397
Molecular FormulaC18H32O6
Molecular Weight344.45 g/mol
Exact Mass344.22
IUPAC Name(1S,2S,6S)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexane-1,2-diol
SMILESCCOCO[C@H]1CCCC=C1[C@@]1(O)[C@@H](OCOCC)CCC[C@@H]1O
InChIInChI=1S/C18H32O6/c1-3-21-12-23-15-9-6-5-8-14(15)18(20)16(19)10-7-11-17(18)24-13-22-4-2/h8,15-17,19-20H,3-7,9-13H2,1-2H3/t15-,16-,17-,18-/m0/s1
InChIKeyNYLUACWOUMFWPV-XSLAGTTESA-N
XLogP2.13
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,2S,6S)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2S,6S)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexane-1,2-diol?
The IUPAC name of (1S,2S,6S)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexane-1,2-diol (CID 10545397) is (1S,2S,6S)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexane-1,2-diol.
What is the SMILES notation for (1S,2S,6S)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexane-1,2-diol?
The canonical SMILES for (1S,2S,6S)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexane-1,2-diol is CCOCO[C@H]1CCCC=C1[C@@]1(O)[C@@H](OCOCC)CCC[C@@H]1O.
What is the InChIKey of (1S,2S,6S)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexane-1,2-diol?
The InChIKey is NYLUACWOUMFWPV-XSLAGTTESA-N. The full InChI is InChI=1S/C18H32O6/c1-3-21-12-23-15-9-6-5-8-14(15)18(20)16(19)10-7-11-17(18)24-13-22-4-2/h8,15-17,19-20H,3-7,9-13H2,1-2H3/t15-,16-,17-,18-/m0/s1.
What are the key properties of (1S,2S,6S)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexane-1,2-diol?
(1S,2S,6S)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexane-1,2-diol has a molecular weight of 344.45 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6S)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexane-1,2-diol is sourced from PubChem (CID 10545397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).