(Z)-5-prop-1-en-2-ylnon-4-ene

C12H22 — CID 177440529

IUPAC(Z)-5-prop-1-en-2-ylnon-4-ene
SMILESC=C(C)/C(=C\CCC)CCCC
InChIInChI=1S/C12H22/c1-5-7-9-12(11(3)4)10-8-6-2/h9H,3,5-8,10H2,1-2,4H3/b12-9-
InChIKeyDYXWQFWNTASIBZ-XFXZXTDPSA-N
MW166.31 g/mol
LogP4.48
Rot. Bonds6

About (Z)-5-prop-1-en-2-ylnon-4-ene

(Z)-5-prop-1-en-2-ylnon-4-ene (PubChem CID 177440529) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (Z)-5-prop-1-en-2-ylnon-4-ene.

Molecular Properties

Compound Name(Z)-5-prop-1-en-2-ylnon-4-ene
PubChem CID177440529
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(Z)-5-prop-1-en-2-ylnon-4-ene
SMILESC=C(C)/C(=C\CCC)CCCC
InChIInChI=1S/C12H22/c1-5-7-9-12(11(3)4)10-8-6-2/h9H,3,5-8,10H2,1-2,4H3/b12-9-
InChIKeyDYXWQFWNTASIBZ-XFXZXTDPSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(6E)-2,6-dimethyldeca-2,6-diene;2-methylhex-1-ene;2-methylhex-2-ene
CID 162079708
[(1E,3E)-2-butyl-3-propylhepta-1,3-dienyl]-trimethylsilane
CID 101455170
4-ethyl-3-methylideneoct-4-ene
CID 54376139
(E)-2-methylhex-2-enoate;2-methylidenehexanoate
CID 21275729
2-methylhex-1-ene
CID 158402499
(3E)-3-ethylidene-2-methylhex-1-ene
CID 143524978
2,8-dimethyldodeca-1,8-diene
CID 91581739
lithium (Z)-non-4-en-5-olate
CID 23684731
5-butylicos-4-ene
CID 54084142
(E)-5-butyltridec-4-ene
CID 12531554
3-propylhept-3-en-2-one
CID 537652
(3E)-3-fluoro-2-methylnona-1,3-diene
CID 102212096

Frequently Asked Questions

What is the IUPAC name of (Z)-5-prop-1-en-2-ylnon-4-ene?
The IUPAC name of (Z)-5-prop-1-en-2-ylnon-4-ene (CID 177440529) is (Z)-5-prop-1-en-2-ylnon-4-ene.
What is the SMILES notation for (Z)-5-prop-1-en-2-ylnon-4-ene?
The canonical SMILES for (Z)-5-prop-1-en-2-ylnon-4-ene is C=C(C)/C(=C\CCC)CCCC.
What is the InChIKey of (Z)-5-prop-1-en-2-ylnon-4-ene?
The InChIKey is DYXWQFWNTASIBZ-XFXZXTDPSA-N. The full InChI is InChI=1S/C12H22/c1-5-7-9-12(11(3)4)10-8-6-2/h9H,3,5-8,10H2,1-2,4H3/b12-9-.
What are the key properties of (Z)-5-prop-1-en-2-ylnon-4-ene?
(Z)-5-prop-1-en-2-ylnon-4-ene has a molecular weight of 166.31 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-prop-1-en-2-ylnon-4-ene is sourced from PubChem (CID 177440529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).