4-[ethoxy(hydroxy)methyl]-4-prop-2-enylcyclohexan-1-ol

C12H22O3 — CID 58292028

IUPAC4-[ethoxy(hydroxy)methyl]-4-prop-2-enylcyclohexan-1-ol
SMILESC=CCC1(C(O)OCC)CCC(O)CC1
InChIInChI=1S/C12H22O3/c1-3-7-12(11(14)15-4-2)8-5-10(13)6-9-12/h3,10-11,13-14H,1,4-9H2,2H3
InChIKeySLKCAKMCNWYIBA-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.84
Rot. Bonds5

About 4-[ethoxy(hydroxy)methyl]-4-prop-2-enylcyclohexan-1-ol

4-[ethoxy(hydroxy)methyl]-4-prop-2-enylcyclohexan-1-ol (PubChem CID 58292028) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 4-[ethoxy(hydroxy)methyl]-4-prop-2-enylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[ethoxy(hydroxy)methyl]-4-prop-2-enylcyclohexan-1-ol
PubChem CID58292028
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name4-[ethoxy(hydroxy)methyl]-4-prop-2-enylcyclohexan-1-ol
SMILESC=CCC1(C(O)OCC)CCC(O)CC1
InChIInChI=1S/C12H22O3/c1-3-7-12(11(14)15-4-2)8-5-10(13)6-9-12/h3,10-11,13-14H,1,4-9H2,2H3
InChIKeySLKCAKMCNWYIBA-UHFFFAOYSA-N
XLogP1.84
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[ethoxy(hydroxy)methyl]-4-prop-2-enylcyclohexan-1-ol?
The IUPAC name of 4-[ethoxy(hydroxy)methyl]-4-prop-2-enylcyclohexan-1-ol (CID 58292028) is 4-[ethoxy(hydroxy)methyl]-4-prop-2-enylcyclohexan-1-ol.
What is the SMILES notation for 4-[ethoxy(hydroxy)methyl]-4-prop-2-enylcyclohexan-1-ol?
The canonical SMILES for 4-[ethoxy(hydroxy)methyl]-4-prop-2-enylcyclohexan-1-ol is C=CCC1(C(O)OCC)CCC(O)CC1.
What is the InChIKey of 4-[ethoxy(hydroxy)methyl]-4-prop-2-enylcyclohexan-1-ol?
The InChIKey is SLKCAKMCNWYIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-3-7-12(11(14)15-4-2)8-5-10(13)6-9-12/h3,10-11,13-14H,1,4-9H2,2H3.
What are the key properties of 4-[ethoxy(hydroxy)methyl]-4-prop-2-enylcyclohexan-1-ol?
4-[ethoxy(hydroxy)methyl]-4-prop-2-enylcyclohexan-1-ol has a molecular weight of 214.30 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethoxy(hydroxy)methyl]-4-prop-2-enylcyclohexan-1-ol is sourced from PubChem (CID 58292028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).