[4-(ethenoxymethyl)cyclohexyl]methanol;hydrate

C10H20O3 — CID 89350942

IUPAC[4-(ethenoxymethyl)cyclohexyl]methanol;hydrate
SMILESC=COCC1CCC(CO)CC1.O
InChIInChI=1S/C10H18O2.H2O/c1-2-12-8-10-5-3-9(7-11)4-6-10;/h2,9-11H,1,3-8H2;1H2
InChIKeyAYRLBTZPNCMBFQ-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.12
Rot. Bonds4

About [4-(ethenoxymethyl)cyclohexyl]methanol;hydrate

[4-(ethenoxymethyl)cyclohexyl]methanol;hydrate (PubChem CID 89350942) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is [4-(ethenoxymethyl)cyclohexyl]methanol;hydrate.

Molecular Properties

Compound Name[4-(ethenoxymethyl)cyclohexyl]methanol;hydrate
PubChem CID89350942
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name[4-(ethenoxymethyl)cyclohexyl]methanol;hydrate
SMILESC=COCC1CCC(CO)CC1.O
InChIInChI=1S/C10H18O2.H2O/c1-2-12-8-10-5-3-9(7-11)4-6-10;/h2,9-11H,1,3-8H2;1H2
InChIKeyAYRLBTZPNCMBFQ-UHFFFAOYSA-N
XLogP1.12
TPSA60.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(ethenoxymethyl)cyclohexyl]methanol;hydrate?
The IUPAC name of [4-(ethenoxymethyl)cyclohexyl]methanol;hydrate (CID 89350942) is [4-(ethenoxymethyl)cyclohexyl]methanol;hydrate.
What is the SMILES notation for [4-(ethenoxymethyl)cyclohexyl]methanol;hydrate?
The canonical SMILES for [4-(ethenoxymethyl)cyclohexyl]methanol;hydrate is C=COCC1CCC(CO)CC1.O.
What is the InChIKey of [4-(ethenoxymethyl)cyclohexyl]methanol;hydrate?
The InChIKey is AYRLBTZPNCMBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2.H2O/c1-2-12-8-10-5-3-9(7-11)4-6-10;/h2,9-11H,1,3-8H2;1H2.
What are the key properties of [4-(ethenoxymethyl)cyclohexyl]methanol;hydrate?
[4-(ethenoxymethyl)cyclohexyl]methanol;hydrate has a molecular weight of 188.27 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethenoxymethyl)cyclohexyl]methanol;hydrate is sourced from PubChem (CID 89350942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).