(E)-3-(2,5,5-trimethyl-1,3-dioxan-2-yl)prop-2-en-1-ol

C10H18O3 — CID 14524791

IUPAC(E)-3-(2,5,5-trimethyl-1,3-dioxan-2-yl)prop-2-en-1-ol
SMILESCC1(C)COC(C)(/C=C/CO)OC1
InChIInChI=1S/C10H18O3/c1-9(2)7-12-10(3,13-8-9)5-4-6-11/h4-5,11H,6-8H2,1-3H3/b5-4+
InChIKeyIASYWUNRNIUFTP-SNAWJCMRSA-N
MW186.25 g/mol
LogP1.32
Rot. Bonds2

About (E)-3-(2,5,5-trimethyl-1,3-dioxan-2-yl)prop-2-en-1-ol

(E)-3-(2,5,5-trimethyl-1,3-dioxan-2-yl)prop-2-en-1-ol (PubChem CID 14524791) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (E)-3-(2,5,5-trimethyl-1,3-dioxan-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(2,5,5-trimethyl-1,3-dioxan-2-yl)prop-2-en-1-ol
PubChem CID14524791
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(E)-3-(2,5,5-trimethyl-1,3-dioxan-2-yl)prop-2-en-1-ol
SMILESCC1(C)COC(C)(/C=C/CO)OC1
InChIInChI=1S/C10H18O3/c1-9(2)7-12-10(3,13-8-9)5-4-6-11/h4-5,11H,6-8H2,1-3H3/b5-4+
InChIKeyIASYWUNRNIUFTP-SNAWJCMRSA-N
XLogP1.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5,5-trimethyl-1,3-dioxan-2-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(2,5,5-trimethyl-1,3-dioxan-2-yl)prop-2-en-1-ol (CID 14524791) is (E)-3-(2,5,5-trimethyl-1,3-dioxan-2-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(2,5,5-trimethyl-1,3-dioxan-2-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(2,5,5-trimethyl-1,3-dioxan-2-yl)prop-2-en-1-ol is CC1(C)COC(C)(/C=C/CO)OC1.
What is the InChIKey of (E)-3-(2,5,5-trimethyl-1,3-dioxan-2-yl)prop-2-en-1-ol?
The InChIKey is IASYWUNRNIUFTP-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(2)7-12-10(3,13-8-9)5-4-6-11/h4-5,11H,6-8H2,1-3H3/b5-4+.
What are the key properties of (E)-3-(2,5,5-trimethyl-1,3-dioxan-2-yl)prop-2-en-1-ol?
(E)-3-(2,5,5-trimethyl-1,3-dioxan-2-yl)prop-2-en-1-ol has a molecular weight of 186.25 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5,5-trimethyl-1,3-dioxan-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 14524791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).