(3Z)-3-(prop-2-enoxymethylidene)heptane

C11H20O — CID 12512197

IUPAC(3Z)-3-(prop-2-enoxymethylidene)heptane
SMILESC=CCO/C=C(/CC)CCCC
InChIInChI=1S/C11H20O/c1-4-7-8-11(6-3)10-12-9-5-2/h5,10H,2,4,6-9H2,1,3H3/b11-10-
InChIKeyMOSOLVDNFLZVGK-KHPPLWFESA-N
MW168.28 g/mol
LogP3.67
Rot. Bonds7

About (3Z)-3-(prop-2-enoxymethylidene)heptane

(3Z)-3-(prop-2-enoxymethylidene)heptane (PubChem CID 12512197) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (3Z)-3-(prop-2-enoxymethylidene)heptane.

Molecular Properties

Compound Name(3Z)-3-(prop-2-enoxymethylidene)heptane
PubChem CID12512197
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(3Z)-3-(prop-2-enoxymethylidene)heptane
SMILESC=CCO/C=C(/CC)CCCC
InChIInChI=1S/C11H20O/c1-4-7-8-11(6-3)10-12-9-5-2/h5,10H,2,4,6-9H2,1,3H3/b11-10-
InChIKeyMOSOLVDNFLZVGK-KHPPLWFESA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(prop-2-enoxymethylidene)heptane?
The IUPAC name of (3Z)-3-(prop-2-enoxymethylidene)heptane (CID 12512197) is (3Z)-3-(prop-2-enoxymethylidene)heptane.
What is the SMILES notation for (3Z)-3-(prop-2-enoxymethylidene)heptane?
The canonical SMILES for (3Z)-3-(prop-2-enoxymethylidene)heptane is C=CCO/C=C(/CC)CCCC.
What is the InChIKey of (3Z)-3-(prop-2-enoxymethylidene)heptane?
The InChIKey is MOSOLVDNFLZVGK-KHPPLWFESA-N. The full InChI is InChI=1S/C11H20O/c1-4-7-8-11(6-3)10-12-9-5-2/h5,10H,2,4,6-9H2,1,3H3/b11-10-.
What are the key properties of (3Z)-3-(prop-2-enoxymethylidene)heptane?
(3Z)-3-(prop-2-enoxymethylidene)heptane has a molecular weight of 168.28 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(prop-2-enoxymethylidene)heptane is sourced from PubChem (CID 12512197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).