propane;(E)-5-[(Z)-prop-1-enyl]non-2-ene

C15H30 — CID 143978428

IUPACpropane;(E)-5-[(Z)-prop-1-enyl]non-2-ene
SMILESC/C=C\C(C/C=C/C)CCCC.CCC
InChIInChI=1S/C12H22.C3H8/c1-4-7-10-12(9-6-3)11-8-5-2;1-3-2/h4,6-7,9,12H,5,8,10-11H2,1-3H3;3H2,1-2H3/b7-4+,9-6-;
InChIKeyRCYQZDXOUYDCCC-TYUNJGNJSA-N
MW210.40 g/mol
LogP5.75
Rot. Bonds6

About propane;(E)-5-[(Z)-prop-1-enyl]non-2-ene

propane;(E)-5-[(Z)-prop-1-enyl]non-2-ene (PubChem CID 143978428) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is propane;(E)-5-[(Z)-prop-1-enyl]non-2-ene.

Molecular Properties

Compound Namepropane;(E)-5-[(Z)-prop-1-enyl]non-2-ene
PubChem CID143978428
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Namepropane;(E)-5-[(Z)-prop-1-enyl]non-2-ene
SMILESC/C=C\C(C/C=C/C)CCCC.CCC
InChIInChI=1S/C12H22.C3H8/c1-4-7-10-12(9-6-3)11-8-5-2;1-3-2/h4,6-7,9,12H,5,8,10-11H2,1-3H3;3H2,1-2H3/b7-4+,9-6-;
InChIKeyRCYQZDXOUYDCCC-TYUNJGNJSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-prop-1-enylhexan-1-ol
CID 57263629
5-prop-1-enyldec-2-en-1-ol
CID 87694754
5-prop-1-enyltridecane
CID 57064303
6-[(E)-prop-1-enyl]undecane
CID 134941128
5-butylnon-2-ene
CID 175055679
but-2-enyl(tributyl)phosphanium
CID 76527519
octa-2,6-diene;4-prop-1-enyloct-2-ene
CID 159592466
2-butylhex-4-en-1-amine
CID 91034003
4-methyloct-2-ene
CID 528286
(E,5S,6R)-6-methyldec-8-en-5-ol
CID 88893107
7-ethyl-4-methylundeca-2,5-diene
CID 91185821
5-ethenyloct-2-ene
CID 91485843

Frequently Asked Questions

What is the IUPAC name of propane;(E)-5-[(Z)-prop-1-enyl]non-2-ene?
The IUPAC name of propane;(E)-5-[(Z)-prop-1-enyl]non-2-ene (CID 143978428) is propane;(E)-5-[(Z)-prop-1-enyl]non-2-ene.
What is the SMILES notation for propane;(E)-5-[(Z)-prop-1-enyl]non-2-ene?
The canonical SMILES for propane;(E)-5-[(Z)-prop-1-enyl]non-2-ene is C/C=C\C(C/C=C/C)CCCC.CCC.
What is the InChIKey of propane;(E)-5-[(Z)-prop-1-enyl]non-2-ene?
The InChIKey is RCYQZDXOUYDCCC-TYUNJGNJSA-N. The full InChI is InChI=1S/C12H22.C3H8/c1-4-7-10-12(9-6-3)11-8-5-2;1-3-2/h4,6-7,9,12H,5,8,10-11H2,1-3H3;3H2,1-2H3/b7-4+,9-6-;.
What are the key properties of propane;(E)-5-[(Z)-prop-1-enyl]non-2-ene?
propane;(E)-5-[(Z)-prop-1-enyl]non-2-ene has a molecular weight of 210.40 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propane;(E)-5-[(Z)-prop-1-enyl]non-2-ene is sourced from PubChem (CID 143978428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).