(4R,5R)-2,2,4-trimethyl-5-[(E)-prop-1-enyl]-1,3-dioxolane

C9H16O2 — CID 142958373

IUPAC(4R,5R)-2,2,4-trimethyl-5-[(E)-prop-1-enyl]-1,3-dioxolane
SMILESC/C=C/[C@H]1OC(C)(C)O[C@@H]1C
InChIInChI=1S/C9H16O2/c1-5-6-8-7(2)10-9(3,4)11-8/h5-8H,1-4H3/b6-5+/t7-,8-/m1/s1
InChIKeyIPZUEAZKIDADGE-ZZTMBZGHSA-N
MW156.22 g/mol
LogP2.10
Rot. Bonds1

About (4R,5R)-2,2,4-trimethyl-5-[(E)-prop-1-enyl]-1,3-dioxolane

(4R,5R)-2,2,4-trimethyl-5-[(E)-prop-1-enyl]-1,3-dioxolane (PubChem CID 142958373) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (4R,5R)-2,2,4-trimethyl-5-[(E)-prop-1-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-2,2,4-trimethyl-5-[(E)-prop-1-enyl]-1,3-dioxolane
PubChem CID142958373
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(4R,5R)-2,2,4-trimethyl-5-[(E)-prop-1-enyl]-1,3-dioxolane
SMILESC/C=C/[C@H]1OC(C)(C)O[C@@H]1C
InChIInChI=1S/C9H16O2/c1-5-6-8-7(2)10-9(3,4)11-8/h5-8H,1-4H3/b6-5+/t7-,8-/m1/s1
InChIKeyIPZUEAZKIDADGE-ZZTMBZGHSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.10
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

[(4S,5S)-2,2-dimethyl-5-[(E)-prop-1-enyl]-1,3-dioxolan-4-yl]methanol
CID 15283501
7-methoxy-2,2-dimethyl-4-[(E)-prop-1-enyl]-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 20657765
(4R,5S,6R)-2,2,4,5-tetramethyl-6-[(E)-2-phenylethenyl]-1,3-dioxane
CID 11673198
2-[butyl(dimethyl)silyl]oxy-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)pent-4-enoic acid
CID 54211782
3-[(E)-but-2-enyl]-2,2-dimethyloxirane
CID 18345585
(3aR,5S,6aR)-2,2-dimethyl-5-[(E)-prop-1-enyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 11557396
(3aR,4R,6S)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 59042827
(2S)-2-[(4S,5S)-2,2-dimethyl-5-[(E)-prop-1-enyl]-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 10018582
(4R,5S)-4-ethynyl-2,2,5-trimethyl-1,3-dioxolane
CID 102245349
(4R,5S)-4-(bromomethyl)-2,2,5-trimethyl-1,3-dioxolane
CID 12741636
2,3-dimethyl-2-prop-1-enyloxirane
CID 131852700
CID 140672703
CID 140672703

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2,2,4-trimethyl-5-[(E)-prop-1-enyl]-1,3-dioxolane?
The IUPAC name of (4R,5R)-2,2,4-trimethyl-5-[(E)-prop-1-enyl]-1,3-dioxolane (CID 142958373) is (4R,5R)-2,2,4-trimethyl-5-[(E)-prop-1-enyl]-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-2,2,4-trimethyl-5-[(E)-prop-1-enyl]-1,3-dioxolane?
The canonical SMILES for (4R,5R)-2,2,4-trimethyl-5-[(E)-prop-1-enyl]-1,3-dioxolane is C/C=C/[C@H]1OC(C)(C)O[C@@H]1C.
What is the InChIKey of (4R,5R)-2,2,4-trimethyl-5-[(E)-prop-1-enyl]-1,3-dioxolane?
The InChIKey is IPZUEAZKIDADGE-ZZTMBZGHSA-N. The full InChI is InChI=1S/C9H16O2/c1-5-6-8-7(2)10-9(3,4)11-8/h5-8H,1-4H3/b6-5+/t7-,8-/m1/s1.
What are the key properties of (4R,5R)-2,2,4-trimethyl-5-[(E)-prop-1-enyl]-1,3-dioxolane?
(4R,5R)-2,2,4-trimethyl-5-[(E)-prop-1-enyl]-1,3-dioxolane has a molecular weight of 156.22 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2,2,4-trimethyl-5-[(E)-prop-1-enyl]-1,3-dioxolane is sourced from PubChem (CID 142958373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).