non-3-en-1-yne

C9H14 — CID 556159

IUPACnon-3-en-1-yne
SMILESC#CC=CCCCCC
InChIInChI=1S/C9H14/c1-3-5-7-9-8-6-4-2/h1,5,7H,4,6,8-9H2,2H3
InChIKeyMDHBUOMRTGHQPI-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.76
Rot. Bonds4

About non-3-en-1-yne

non-3-en-1-yne (PubChem CID 556159) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is non-3-en-1-yne.

Molecular Properties

Compound Namenon-3-en-1-yne
PubChem CID556159
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Namenon-3-en-1-yne
SMILESC#CC=CCCCCC
InChIInChI=1S/C9H14/c1-3-5-7-9-8-6-4-2/h1,5,7H,4,6,8-9H2,2H3
InChIKeyMDHBUOMRTGHQPI-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z,9Z)-dodeca-3,9-dien-1,11-diyne
CID 11693943
(3E,13E)-hexadeca-3,13-dien-1,15-diyne
CID 101416454
heptacos-3-en-1,8,14,20-tetrayne
CID 163086579
(Z)-oct-5-en-7-yn-1-ol
CID 13293587
heptacosa-3,23-dien-1,25-diyne
CID 71349303
(E)-undec-2-enenitrile
CID 6538104
(2E,8E)-tetradeca-2,8-dienenitrile
CID 129206648
(E)-hexacos-10-ene
CID 22172169
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-nonacos-10-ene
CID 14367300

Frequently Asked Questions

What is the IUPAC name of non-3-en-1-yne?
The IUPAC name of non-3-en-1-yne (CID 556159) is non-3-en-1-yne.
What is the SMILES notation for non-3-en-1-yne?
The canonical SMILES for non-3-en-1-yne is C#CC=CCCCCC.
What is the InChIKey of non-3-en-1-yne?
The InChIKey is MDHBUOMRTGHQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-3-5-7-9-8-6-4-2/h1,5,7H,4,6,8-9H2,2H3.
What are the key properties of non-3-en-1-yne?
non-3-en-1-yne has a molecular weight of 122.21 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for non-3-en-1-yne is sourced from PubChem (CID 556159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).