2-[1-[3,4-bis(methoxymethoxy)pentyl]cyclohexyl]ethanol

C17H34O5 — CID 174472910

IUPAC2-[1-[3,4-bis(methoxymethoxy)pentyl]cyclohexyl]ethanol
SMILESCOCOC(C)C(CCC1(CCO)CCCCC1)OCOC
InChIInChI=1S/C17H34O5/c1-15(21-13-19-2)16(22-14-20-3)7-10-17(11-12-18)8-5-4-6-9-17/h15-16,18H,4-14H2,1-3H3
InChIKeyLMFRXJVKOVUOSC-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.10
Rot. Bonds12

About 2-[1-[3,4-bis(methoxymethoxy)pentyl]cyclohexyl]ethanol

2-[1-[3,4-bis(methoxymethoxy)pentyl]cyclohexyl]ethanol (PubChem CID 174472910) has the molecular formula C17H34O5 and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-[1-[3,4-bis(methoxymethoxy)pentyl]cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[1-[3,4-bis(methoxymethoxy)pentyl]cyclohexyl]ethanol
PubChem CID174472910
Molecular FormulaC17H34O5
Molecular Weight318.45 g/mol
Exact Mass318.24
IUPAC Name2-[1-[3,4-bis(methoxymethoxy)pentyl]cyclohexyl]ethanol
SMILESCOCOC(C)C(CCC1(CCO)CCCCC1)OCOC
InChIInChI=1S/C17H34O5/c1-15(21-13-19-2)16(22-14-20-3)7-10-17(11-12-18)8-5-4-6-9-17/h15-16,18H,4-14H2,1-3H3
InChIKeyLMFRXJVKOVUOSC-UHFFFAOYSA-N
XLogP3.10
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.10
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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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3,4-bis(methoxymethoxy)pentyl]cyclohexyl]ethanol?
The IUPAC name of 2-[1-[3,4-bis(methoxymethoxy)pentyl]cyclohexyl]ethanol (CID 174472910) is 2-[1-[3,4-bis(methoxymethoxy)pentyl]cyclohexyl]ethanol.
What is the SMILES notation for 2-[1-[3,4-bis(methoxymethoxy)pentyl]cyclohexyl]ethanol?
The canonical SMILES for 2-[1-[3,4-bis(methoxymethoxy)pentyl]cyclohexyl]ethanol is COCOC(C)C(CCC1(CCO)CCCCC1)OCOC.
What is the InChIKey of 2-[1-[3,4-bis(methoxymethoxy)pentyl]cyclohexyl]ethanol?
The InChIKey is LMFRXJVKOVUOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O5/c1-15(21-13-19-2)16(22-14-20-3)7-10-17(11-12-18)8-5-4-6-9-17/h15-16,18H,4-14H2,1-3H3.
What are the key properties of 2-[1-[3,4-bis(methoxymethoxy)pentyl]cyclohexyl]ethanol?
2-[1-[3,4-bis(methoxymethoxy)pentyl]cyclohexyl]ethanol has a molecular weight of 318.45 g/mol, XLogP of 3.10, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3,4-bis(methoxymethoxy)pentyl]cyclohexyl]ethanol is sourced from PubChem (CID 174472910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).