carbon monoxide;(6E)-3-methoxy-3,7-dimethyldeca-1,6-diene

C14H24O2 — CID 161004338

IUPACcarbon monoxide;(6E)-3-methoxy-3,7-dimethyldeca-1,6-diene
SMILESC=CC(C)(CC/C=C(\C)CCC)OC.[C-]#[O+]
InChIInChI=1S/C13H24O.CO/c1-6-9-12(3)10-8-11-13(4,7-2)14-5;1-2/h7,10H,2,6,8-9,11H2,1,3-5H3;/b12-10+;
InChIKeyTWHOGCPFMXRUQD-VHPXAQPISA-N
MW224.34 g/mol
LogP4.07
Rot. Bonds7

About carbon monoxide;(6E)-3-methoxy-3,7-dimethyldeca-1,6-diene

carbon monoxide;(6E)-3-methoxy-3,7-dimethyldeca-1,6-diene (PubChem CID 161004338) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is carbon monoxide;(6E)-3-methoxy-3,7-dimethyldeca-1,6-diene.

Molecular Properties

Compound Namecarbon monoxide;(6E)-3-methoxy-3,7-dimethyldeca-1,6-diene
PubChem CID161004338
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namecarbon monoxide;(6E)-3-methoxy-3,7-dimethyldeca-1,6-diene
SMILESC=CC(C)(CC/C=C(\C)CCC)OC.[C-]#[O+]
InChIInChI=1S/C13H24O.CO/c1-6-9-12(3)10-8-11-13(4,7-2)14-5;1-2/h7,10H,2,6,8-9,11H2,1,3-5H3;/b12-10+;
InChIKeyTWHOGCPFMXRUQD-VHPXAQPISA-N
XLogP4.07
TPSA29.13 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;(6E)-3-methoxy-3,7-dimethyldeca-1,6-diene?
The IUPAC name of carbon monoxide;(6E)-3-methoxy-3,7-dimethyldeca-1,6-diene (CID 161004338) is carbon monoxide;(6E)-3-methoxy-3,7-dimethyldeca-1,6-diene.
What is the SMILES notation for carbon monoxide;(6E)-3-methoxy-3,7-dimethyldeca-1,6-diene?
The canonical SMILES for carbon monoxide;(6E)-3-methoxy-3,7-dimethyldeca-1,6-diene is C=CC(C)(CC/C=C(\C)CCC)OC.[C-]#[O+].
What is the InChIKey of carbon monoxide;(6E)-3-methoxy-3,7-dimethyldeca-1,6-diene?
The InChIKey is TWHOGCPFMXRUQD-VHPXAQPISA-N. The full InChI is InChI=1S/C13H24O.CO/c1-6-9-12(3)10-8-11-13(4,7-2)14-5;1-2/h7,10H,2,6,8-9,11H2,1,3-5H3;/b12-10+;.
What are the key properties of carbon monoxide;(6E)-3-methoxy-3,7-dimethyldeca-1,6-diene?
carbon monoxide;(6E)-3-methoxy-3,7-dimethyldeca-1,6-diene has a molecular weight of 224.34 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;(6E)-3-methoxy-3,7-dimethyldeca-1,6-diene is sourced from PubChem (CID 161004338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).