5,5-bis(1-ethoxyethoxy)-2-methylcyclohexan-1-ol

C15H30O5 — CID 67708656

IUPAC5,5-bis(1-ethoxyethoxy)-2-methylcyclohexan-1-ol
SMILESCCOC(C)OC1(OC(C)OCC)CCC(C)C(O)C1
InChIInChI=1S/C15H30O5/c1-6-17-12(4)19-15(20-13(5)18-7-2)9-8-11(3)14(16)10-15/h11-14,16H,6-10H2,1-5H3
InChIKeyNTTXABYZAKABKL-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.66
Rot. Bonds8

About 5,5-bis(1-ethoxyethoxy)-2-methylcyclohexan-1-ol

5,5-bis(1-ethoxyethoxy)-2-methylcyclohexan-1-ol (PubChem CID 67708656) has the molecular formula C15H30O5 and a molecular weight of 290.40 g/mol. Its IUPAC name is 5,5-bis(1-ethoxyethoxy)-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name5,5-bis(1-ethoxyethoxy)-2-methylcyclohexan-1-ol
PubChem CID67708656
Molecular FormulaC15H30O5
Molecular Weight290.40 g/mol
Exact Mass290.21
IUPAC Name5,5-bis(1-ethoxyethoxy)-2-methylcyclohexan-1-ol
SMILESCCOC(C)OC1(OC(C)OCC)CCC(C)C(O)C1
InChIInChI=1S/C15H30O5/c1-6-17-12(4)19-15(20-13(5)18-7-2)9-8-11(3)14(16)10-15/h11-14,16H,6-10H2,1-5H3
InChIKeyNTTXABYZAKABKL-UHFFFAOYSA-N
XLogP2.66
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(4-hydroxybutoxy)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol
CID 154699574
7-(1-hydroxybutoxy)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol
CID 154699604
7-(3-hydroxybutoxy)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol
CID 154699899
methyl 2,4,6-trideoxy-2,4-di-C-methylgluohexopyranoside
CID 147963
1-[[4-(1-Fluoroethoxy)cyclohexyl]methoxy]ethanol
CID 71103060
Cyclohexanemethanol, 4-[(tetrahydro-2H-pyran-2-yl)oxy]-, cis-
CID 15349886
2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propane-1,3-diol
CID 12987256
2-(Diethoxymethyl)cyclohexan-1-ol
CID 13029006
(3R,4S,5R,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol
CID 14138470
(2R,3R,4S,5S,6S)-2-[(2R)-1-hydroxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-ol
CID 46198059
5-(Dimethoxymethyl)cyclohexane-1,2,3,4-tetrol
CID 123252790
(2R,3R,4S)-2-methyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentane-1,3-diol
CID 134855284

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(1-ethoxyethoxy)-2-methylcyclohexan-1-ol?
The IUPAC name of 5,5-bis(1-ethoxyethoxy)-2-methylcyclohexan-1-ol (CID 67708656) is 5,5-bis(1-ethoxyethoxy)-2-methylcyclohexan-1-ol.
What is the SMILES notation for 5,5-bis(1-ethoxyethoxy)-2-methylcyclohexan-1-ol?
The canonical SMILES for 5,5-bis(1-ethoxyethoxy)-2-methylcyclohexan-1-ol is CCOC(C)OC1(OC(C)OCC)CCC(C)C(O)C1.
What is the InChIKey of 5,5-bis(1-ethoxyethoxy)-2-methylcyclohexan-1-ol?
The InChIKey is NTTXABYZAKABKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O5/c1-6-17-12(4)19-15(20-13(5)18-7-2)9-8-11(3)14(16)10-15/h11-14,16H,6-10H2,1-5H3.
What are the key properties of 5,5-bis(1-ethoxyethoxy)-2-methylcyclohexan-1-ol?
5,5-bis(1-ethoxyethoxy)-2-methylcyclohexan-1-ol has a molecular weight of 290.40 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(1-ethoxyethoxy)-2-methylcyclohexan-1-ol is sourced from PubChem (CID 67708656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).