(3,4,5-trimethyl-6-prop-2-enoxyoxan-2-yl)methanol

C12H22O3 — CID 21339267

IUPAC(3,4,5-trimethyl-6-prop-2-enoxyoxan-2-yl)methanol
SMILESC=CCOC1OC(CO)C(C)C(C)C1C
InChIInChI=1S/C12H22O3/c1-5-6-14-12-10(4)8(2)9(3)11(7-13)15-12/h5,8-13H,1,6-7H2,2-4H3
InChIKeyZKUKRQPGKZKSKX-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.81
Rot. Bonds4

About (3,4,5-trimethyl-6-prop-2-enoxyoxan-2-yl)methanol

(3,4,5-trimethyl-6-prop-2-enoxyoxan-2-yl)methanol (PubChem CID 21339267) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (3,4,5-trimethyl-6-prop-2-enoxyoxan-2-yl)methanol.

Molecular Properties

Compound Name(3,4,5-trimethyl-6-prop-2-enoxyoxan-2-yl)methanol
PubChem CID21339267
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(3,4,5-trimethyl-6-prop-2-enoxyoxan-2-yl)methanol
SMILESC=CCOC1OC(CO)C(C)C(C)C1C
InChIInChI=1S/C12H22O3/c1-5-6-14-12-10(4)8(2)9(3)11(7-13)15-12/h5,8-13H,1,6-7H2,2-4H3
InChIKeyZKUKRQPGKZKSKX-UHFFFAOYSA-N
XLogP1.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3,4,5-trimethyl-6-prop-2-enoxyoxan-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,4,5-trimethyl-6-prop-2-enoxyoxan-2-yl)methanol?
The IUPAC name of (3,4,5-trimethyl-6-prop-2-enoxyoxan-2-yl)methanol (CID 21339267) is (3,4,5-trimethyl-6-prop-2-enoxyoxan-2-yl)methanol.
What is the SMILES notation for (3,4,5-trimethyl-6-prop-2-enoxyoxan-2-yl)methanol?
The canonical SMILES for (3,4,5-trimethyl-6-prop-2-enoxyoxan-2-yl)methanol is C=CCOC1OC(CO)C(C)C(C)C1C.
What is the InChIKey of (3,4,5-trimethyl-6-prop-2-enoxyoxan-2-yl)methanol?
The InChIKey is ZKUKRQPGKZKSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-5-6-14-12-10(4)8(2)9(3)11(7-13)15-12/h5,8-13H,1,6-7H2,2-4H3.
What are the key properties of (3,4,5-trimethyl-6-prop-2-enoxyoxan-2-yl)methanol?
(3,4,5-trimethyl-6-prop-2-enoxyoxan-2-yl)methanol has a molecular weight of 214.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-trimethyl-6-prop-2-enoxyoxan-2-yl)methanol is sourced from PubChem (CID 21339267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).