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

C8H14O2 — CID 11018981

IUPAC(4R,5R)-4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-dioxolane
SMILESC/C=C/C1O[C@H](C)[C@@H](C)O1
InChIInChI=1S/C8H14O2/c1-4-5-8-9-6(2)7(3)10-8/h4-8H,1-3H3/b5-4+/t6-,7-/m1/s1
InChIKeyHXHCHQLIVBYPRE-XIMOZBJHSA-N
MW142.20 g/mol
LogP1.71
Rot. Bonds1

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

(4R,5R)-4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-dioxolane (PubChem CID 11018981) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (4R,5R)-4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-dioxolane
PubChem CID11018981
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(4R,5R)-4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-dioxolane
SMILESC/C=C/C1O[C@H](C)[C@@H](C)O1
InChIInChI=1S/C8H14O2/c1-4-5-8-9-6(2)7(3)10-8/h4-8H,1-3H3/b5-4+/t6-,7-/m1/s1
InChIKeyHXHCHQLIVBYPRE-XIMOZBJHSA-N
XLogP1.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.71
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

2,5-Dihydro-2,5-dimethoxyfuran
CID 78974
1,3-Dioxolane, 2-ethenyl-
CID 77603
(E)-4-methyl-2-(pent-1-enyl)-1,3-dioxolane
CID 5370364
2-Ethenyl-4-methyl-1,3-dioxolane
CID 17025
2-Propenyl-1,3-dioxolane
CID 5369176
1,3-Dioxolane, 4-methyl-2-propenyl-
CID 5385682
4-Methyl-2-(1-penten-1-yl)-1,3-dioxolane
CID 574707
4-[(Allyloxy)methyl]-2,2-dimethyl-1,3-dioxolane
CID 2780154
2-Methoxy-2,5-dihydrofuran
CID 54372438
AC1Lcug2
CID 637543
(4S)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1,3-dioxolane
CID 7003814
cis-2,5-Dimethoxy-2,5-dihydrofuran
CID 7057910

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-dioxolane?
The IUPAC name of (4R,5R)-4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-dioxolane (CID 11018981) is (4R,5R)-4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-dioxolane?
The canonical SMILES for (4R,5R)-4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-dioxolane is C/C=C/C1O[C@H](C)[C@@H](C)O1.
What is the InChIKey of (4R,5R)-4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-dioxolane?
The InChIKey is HXHCHQLIVBYPRE-XIMOZBJHSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-5-8-9-6(2)7(3)10-8/h4-8H,1-3H3/b5-4+/t6-,7-/m1/s1.
What are the key properties of (4R,5R)-4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-dioxolane?
(4R,5R)-4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-dioxolane has a molecular weight of 142.20 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-dioxolane is sourced from PubChem (CID 11018981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).