[(1Z)-1-(5-methyl-1,3-dioxolan-4-ylidene)propan-2-yl] propan-2-yl carbonate

C11H18O5 — CID 57179833

IUPAC[(1Z)-1-(5-methyl-1,3-dioxolan-4-ylidene)propan-2-yl] propan-2-yl carbonate
SMILESCC(C)OC(=O)OC(C)/C=C1\OCOC1C
InChIInChI=1S/C11H18O5/c1-7(2)15-11(12)16-8(3)5-10-9(4)13-6-14-10/h5,7-9H,6H2,1-4H3/b10-5-
InChIKeyNERCAEXBKIJDQN-YHYXMXQVSA-N
MW230.26 g/mol
LogP2.21
Rot. Bonds3

About [(1Z)-1-(5-methyl-1,3-dioxolan-4-ylidene)propan-2-yl] propan-2-yl carbonate

[(1Z)-1-(5-methyl-1,3-dioxolan-4-ylidene)propan-2-yl] propan-2-yl carbonate (PubChem CID 57179833) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is [(1Z)-1-(5-methyl-1,3-dioxolan-4-ylidene)propan-2-yl] propan-2-yl carbonate.

Molecular Properties

Compound Name[(1Z)-1-(5-methyl-1,3-dioxolan-4-ylidene)propan-2-yl] propan-2-yl carbonate
PubChem CID57179833
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name[(1Z)-1-(5-methyl-1,3-dioxolan-4-ylidene)propan-2-yl] propan-2-yl carbonate
SMILESCC(C)OC(=O)OC(C)/C=C1\OCOC1C
InChIInChI=1S/C11H18O5/c1-7(2)15-11(12)16-8(3)5-10-9(4)13-6-14-10/h5,7-9H,6H2,1-4H3/b10-5-
InChIKeyNERCAEXBKIJDQN-YHYXMXQVSA-N
XLogP2.21
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(E)-2-fluoropent-2-enoxy]-4,5-dimethyl-1,3-dioxolan-2-one
CID 169926902
4-Ethylidene-5-(1-methoxyethenyl)-1,3-dioxolan-2-one
CID 91192097
methyl 3-methylbut-2-enyl carbonate;4-methyl-2-[(E)-pent-2-en-2-yl]-1,3-dioxolane
CID 20455976
(5Z)-4-methyl-5-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
CID 59083880
Tert-butyl 1-(2,3-dihydrofuran-5-yl)ethyl carbonate
CID 68562569
[(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate
CID 70254982
4-Methyl-5-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
CID 72511448
(2-Oxo-5-prop-2-enyl-1,3-dioxol-4-yl)methyl formate
CID 87813292
4-[2-[1-(2-Oxo-1,3-dioxolan-4-yl)prop-1-en-2-yloxy]prop-1-enyl]-1,3-dioxolan-2-one
CID 89859032
4-Ethylidene-5-methyl-1,3-dioxolane
CID 90734562
(4E)-4-butylidene-1,3-dioxolane
CID 90954704
(4E)-4-but-3-enylidene-1,3-dioxolan-2-one
CID 100927908

Frequently Asked Questions

What is the IUPAC name of [(1Z)-1-(5-methyl-1,3-dioxolan-4-ylidene)propan-2-yl] propan-2-yl carbonate?
The IUPAC name of [(1Z)-1-(5-methyl-1,3-dioxolan-4-ylidene)propan-2-yl] propan-2-yl carbonate (CID 57179833) is [(1Z)-1-(5-methyl-1,3-dioxolan-4-ylidene)propan-2-yl] propan-2-yl carbonate.
What is the SMILES notation for [(1Z)-1-(5-methyl-1,3-dioxolan-4-ylidene)propan-2-yl] propan-2-yl carbonate?
The canonical SMILES for [(1Z)-1-(5-methyl-1,3-dioxolan-4-ylidene)propan-2-yl] propan-2-yl carbonate is CC(C)OC(=O)OC(C)/C=C1\OCOC1C.
What is the InChIKey of [(1Z)-1-(5-methyl-1,3-dioxolan-4-ylidene)propan-2-yl] propan-2-yl carbonate?
The InChIKey is NERCAEXBKIJDQN-YHYXMXQVSA-N. The full InChI is InChI=1S/C11H18O5/c1-7(2)15-11(12)16-8(3)5-10-9(4)13-6-14-10/h5,7-9H,6H2,1-4H3/b10-5-.
What are the key properties of [(1Z)-1-(5-methyl-1,3-dioxolan-4-ylidene)propan-2-yl] propan-2-yl carbonate?
[(1Z)-1-(5-methyl-1,3-dioxolan-4-ylidene)propan-2-yl] propan-2-yl carbonate has a molecular weight of 230.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-1-(5-methyl-1,3-dioxolan-4-ylidene)propan-2-yl] propan-2-yl carbonate is sourced from PubChem (CID 57179833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).