(5Z)-3,3-dimethyl-5-propylideneoxolan-2-one

C9H14O2 — CID 24864796

IUPAC(5Z)-3,3-dimethyl-5-propylideneoxolan-2-one
SMILESCC/C=C1/CC(C)(C)C(=O)O1
InChIInChI=1S/C9H14O2/c1-4-5-7-6-9(2,3)8(10)11-7/h5H,4,6H2,1-3H3/b7-5-
InChIKeyMFTPNQOBCOYICE-ALCCZGGFSA-N
MW154.21 g/mol
LogP2.25
Rot. Bonds1

About (5Z)-3,3-dimethyl-5-propylideneoxolan-2-one

(5Z)-3,3-dimethyl-5-propylideneoxolan-2-one (PubChem CID 24864796) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (5Z)-3,3-dimethyl-5-propylideneoxolan-2-one.

Molecular Properties

Compound Name(5Z)-3,3-dimethyl-5-propylideneoxolan-2-one
PubChem CID24864796
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(5Z)-3,3-dimethyl-5-propylideneoxolan-2-one
SMILESCC/C=C1/CC(C)(C)C(=O)O1
InChIInChI=1S/C9H14O2/c1-4-5-7-6-9(2,3)8(10)11-7/h5H,4,6H2,1-3H3/b7-5-
InChIKeyMFTPNQOBCOYICE-ALCCZGGFSA-N
XLogP2.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3,3-dimethyl-5-propylideneoxolan-2-one?
The IUPAC name of (5Z)-3,3-dimethyl-5-propylideneoxolan-2-one (CID 24864796) is (5Z)-3,3-dimethyl-5-propylideneoxolan-2-one.
What is the SMILES notation for (5Z)-3,3-dimethyl-5-propylideneoxolan-2-one?
The canonical SMILES for (5Z)-3,3-dimethyl-5-propylideneoxolan-2-one is CC/C=C1/CC(C)(C)C(=O)O1.
What is the InChIKey of (5Z)-3,3-dimethyl-5-propylideneoxolan-2-one?
The InChIKey is MFTPNQOBCOYICE-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-5-7-6-9(2,3)8(10)11-7/h5H,4,6H2,1-3H3/b7-5-.
What are the key properties of (5Z)-3,3-dimethyl-5-propylideneoxolan-2-one?
(5Z)-3,3-dimethyl-5-propylideneoxolan-2-one has a molecular weight of 154.21 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3,3-dimethyl-5-propylideneoxolan-2-one is sourced from PubChem (CID 24864796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).