(3,3-dimethylcyclopropen-1-yl)-(2,2,5-trimethyl-1,3-dioxan-5-yl)methanol

C13H22O3 — CID 134966121

IUPAC(3,3-dimethylcyclopropen-1-yl)-(2,2,5-trimethyl-1,3-dioxan-5-yl)methanol
SMILESCC1(C)OCC(C)(C(O)C2=CC2(C)C)CO1
InChIInChI=1S/C13H22O3/c1-11(2)6-9(11)10(14)13(5)7-15-12(3,4)16-8-13/h6,10,14H,7-8H2,1-5H3
InChIKeyMVPPDZOWZYXHHT-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.10
Rot. Bonds2

About (3,3-dimethylcyclopropen-1-yl)-(2,2,5-trimethyl-1,3-dioxan-5-yl)methanol

(3,3-dimethylcyclopropen-1-yl)-(2,2,5-trimethyl-1,3-dioxan-5-yl)methanol (PubChem CID 134966121) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is (3,3-dimethylcyclopropen-1-yl)-(2,2,5-trimethyl-1,3-dioxan-5-yl)methanol.

Molecular Properties

Compound Name(3,3-dimethylcyclopropen-1-yl)-(2,2,5-trimethyl-1,3-dioxan-5-yl)methanol
PubChem CID134966121
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name(3,3-dimethylcyclopropen-1-yl)-(2,2,5-trimethyl-1,3-dioxan-5-yl)methanol
SMILESCC1(C)OCC(C)(C(O)C2=CC2(C)C)CO1
InChIInChI=1S/C13H22O3/c1-11(2)6-9(11)10(14)13(5)7-15-12(3,4)16-8-13/h6,10,14H,7-8H2,1-5H3
InChIKeyMVPPDZOWZYXHHT-UHFFFAOYSA-N
XLogP2.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.10
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 (3,3-dimethylcyclopropen-1-yl)-(2,2,5-trimethyl-1,3-dioxan-5-yl)methanol?
The IUPAC name of (3,3-dimethylcyclopropen-1-yl)-(2,2,5-trimethyl-1,3-dioxan-5-yl)methanol (CID 134966121) is (3,3-dimethylcyclopropen-1-yl)-(2,2,5-trimethyl-1,3-dioxan-5-yl)methanol.
What is the SMILES notation for (3,3-dimethylcyclopropen-1-yl)-(2,2,5-trimethyl-1,3-dioxan-5-yl)methanol?
The canonical SMILES for (3,3-dimethylcyclopropen-1-yl)-(2,2,5-trimethyl-1,3-dioxan-5-yl)methanol is CC1(C)OCC(C)(C(O)C2=CC2(C)C)CO1.
What is the InChIKey of (3,3-dimethylcyclopropen-1-yl)-(2,2,5-trimethyl-1,3-dioxan-5-yl)methanol?
The InChIKey is MVPPDZOWZYXHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-11(2)6-9(11)10(14)13(5)7-15-12(3,4)16-8-13/h6,10,14H,7-8H2,1-5H3.
What are the key properties of (3,3-dimethylcyclopropen-1-yl)-(2,2,5-trimethyl-1,3-dioxan-5-yl)methanol?
(3,3-dimethylcyclopropen-1-yl)-(2,2,5-trimethyl-1,3-dioxan-5-yl)methanol has a molecular weight of 226.32 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylcyclopropen-1-yl)-(2,2,5-trimethyl-1,3-dioxan-5-yl)methanol is sourced from PubChem (CID 134966121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).