5-methyl-2-propan-2-yl-2-[(E)-prop-1-enyl]-5-propyl-1,3-dioxane

C14H26O2 — CID 20692056

IUPAC5-methyl-2-propan-2-yl-2-[(E)-prop-1-enyl]-5-propyl-1,3-dioxane
SMILESC/C=C/C1(C(C)C)OCC(C)(CCC)CO1
InChIInChI=1S/C14H26O2/c1-6-8-13(5)10-15-14(9-7-2,12(3)4)16-11-13/h7,9,12H,6,8,10-11H2,1-5H3/b9-7+
InChIKeyVZMPYNLCYMELLD-VQHVLOKHSA-N
MW226.36 g/mol
LogP3.77
Rot. Bonds4

About 5-methyl-2-propan-2-yl-2-[(E)-prop-1-enyl]-5-propyl-1,3-dioxane

5-methyl-2-propan-2-yl-2-[(E)-prop-1-enyl]-5-propyl-1,3-dioxane (PubChem CID 20692056) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-2-[(E)-prop-1-enyl]-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-2-[(E)-prop-1-enyl]-5-propyl-1,3-dioxane
PubChem CID20692056
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name5-methyl-2-propan-2-yl-2-[(E)-prop-1-enyl]-5-propyl-1,3-dioxane
SMILESC/C=C/C1(C(C)C)OCC(C)(CCC)CO1
InChIInChI=1S/C14H26O2/c1-6-8-13(5)10-15-14(9-7-2,12(3)4)16-11-13/h7,9,12H,6,8,10-11H2,1-5H3/b9-7+
InChIKeyVZMPYNLCYMELLD-VQHVLOKHSA-N
XLogP3.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-Dimethyl-1,5-heptadien-1-yl)-5-methyl-5-propyl-1,3-dioxane
CID 111275
3,3,4,11-Tetramethyl-8-prop-1-en-2-yl-1,5-dioxaspiro[5.5]undec-10-ene
CID 403153
3,3-Dimethyl-2,4-dioxaspiro[5.5]undec-9-ene
CID 20307661
5,5-dimethyl-2-[(E,3S)-3-methylhex-4-enyl]-1,3-dioxane
CID 10822454
5-(2,5-Dihydrofuran-3-ylmethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane
CID 134854473
chloro-[[(4S,6R)-2,2-dimethyl-6-[(E)-3-methylbut-1-enyl]-1,3-dioxan-4-yl]methyl]mercury
CID 134986351
5,5-dimethyl-2-[(Z,3S)-3-methylhex-4-enyl]-1,3-dioxane
CID 134995431
2-(2,6-Dimethylhepta-1,5-dienyl)-5-methyl-5-propyl-1,3-dioxane
CID 6437636
3,3,11-Trimethyl-2,4-dioxaspiro[5.5]undec-8-ene
CID 20307640
3-Ethyl-3-methyl-2,4-dioxaspiro[5.5]undec-9-ene
CID 20307653
5-methyl-2-[(E)-pent-2-en-2-yl]-5-propyl-1,3-dioxane
CID 21698551
2-Hydroxyethyl-5-methyl-2-(1-propenyl)-5-propyl-1,3-dioxane
CID 54040296

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-2-[(E)-prop-1-enyl]-5-propyl-1,3-dioxane?
The IUPAC name of 5-methyl-2-propan-2-yl-2-[(E)-prop-1-enyl]-5-propyl-1,3-dioxane (CID 20692056) is 5-methyl-2-propan-2-yl-2-[(E)-prop-1-enyl]-5-propyl-1,3-dioxane.
What is the SMILES notation for 5-methyl-2-propan-2-yl-2-[(E)-prop-1-enyl]-5-propyl-1,3-dioxane?
The canonical SMILES for 5-methyl-2-propan-2-yl-2-[(E)-prop-1-enyl]-5-propyl-1,3-dioxane is C/C=C/C1(C(C)C)OCC(C)(CCC)CO1.
What is the InChIKey of 5-methyl-2-propan-2-yl-2-[(E)-prop-1-enyl]-5-propyl-1,3-dioxane?
The InChIKey is VZMPYNLCYMELLD-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H26O2/c1-6-8-13(5)10-15-14(9-7-2,12(3)4)16-11-13/h7,9,12H,6,8,10-11H2,1-5H3/b9-7+.
What are the key properties of 5-methyl-2-propan-2-yl-2-[(E)-prop-1-enyl]-5-propyl-1,3-dioxane?
5-methyl-2-propan-2-yl-2-[(E)-prop-1-enyl]-5-propyl-1,3-dioxane has a molecular weight of 226.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-2-[(E)-prop-1-enyl]-5-propyl-1,3-dioxane is sourced from PubChem (CID 20692056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).