(4E)-4-butylidene-1,3-dioxolane

C7H12O2 — CID 90954704

IUPAC(4E)-4-butylidene-1,3-dioxolane
SMILESCCC/C=C1\COCO1
InChIInChI=1S/C7H12O2/c1-2-3-4-7-5-8-6-9-7/h4H,2-3,5-6H2,1H3/b7-4+
InChIKeyFWTFMOJBXZOLNP-QPJJXVBHSA-N
MW128.17 g/mol
LogP1.67
Rot. Bonds2

About (4E)-4-butylidene-1,3-dioxolane

(4E)-4-butylidene-1,3-dioxolane (PubChem CID 90954704) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (4E)-4-butylidene-1,3-dioxolane.

Molecular Properties

Compound Name(4E)-4-butylidene-1,3-dioxolane
PubChem CID90954704
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(4E)-4-butylidene-1,3-dioxolane
SMILESCCC/C=C1\COCO1
InChIInChI=1S/C7H12O2/c1-2-3-4-7-5-8-6-9-7/h4H,2-3,5-6H2,1H3/b7-4+
InChIKeyFWTFMOJBXZOLNP-QPJJXVBHSA-N
XLogP1.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,8-Dioxabicyclo[3.2.1]oct-1-ene
CID 90687180
Methylheptenone ethylene ketal
CID 129805356
CID 178270065
CID 178270065
2-[(E)-pent-1-enyl]-1,3-dioxolane
CID 10356623
(E)-2-methyl-2-(prop-1-en-1-yl)-1,3-dioxolane
CID 10855469
(4E)-4-pent-4-en-2-ylidene-1,3-dioxolan-2-one
CID 11159430
4-[(E)-but-1-enyl]-1,3-dioxolane
CID 21930702
5,6-Dihydro-1,3-benzodioxole
CID 22568775
[(1Z)-1-(5-methyl-1,3-dioxolan-4-ylidene)propan-2-yl] propan-2-yl carbonate
CID 57179833
3a,6-Dihydro-1,3-benzodioxole
CID 57285343
4,5-bis[(Z)-prop-1-enyl]-1,3-dioxolane
CID 67193197
4,5-Bis(prop-1-enyl)-1,3-dioxolane
CID 67193200

Frequently Asked Questions

What is the IUPAC name of (4E)-4-butylidene-1,3-dioxolane?
The IUPAC name of (4E)-4-butylidene-1,3-dioxolane (CID 90954704) is (4E)-4-butylidene-1,3-dioxolane.
What is the SMILES notation for (4E)-4-butylidene-1,3-dioxolane?
The canonical SMILES for (4E)-4-butylidene-1,3-dioxolane is CCC/C=C1\COCO1.
What is the InChIKey of (4E)-4-butylidene-1,3-dioxolane?
The InChIKey is FWTFMOJBXZOLNP-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-3-4-7-5-8-6-9-7/h4H,2-3,5-6H2,1H3/b7-4+.
What are the key properties of (4E)-4-butylidene-1,3-dioxolane?
(4E)-4-butylidene-1,3-dioxolane has a molecular weight of 128.17 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-butylidene-1,3-dioxolane is sourced from PubChem (CID 90954704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).