ethane;undec-7-en-1,4-diyne

C13H20 — CID 162284206

IUPACethane;undec-7-en-1,4-diyne
SMILESC#CCC#CCC=CCCC.CC
InChIInChI=1S/C11H14.C2H6/c1-3-5-7-9-11-10-8-6-4-2;1-2/h1,8,10H,4-6,11H2,2H3;1-2H3
InChIKeyAEWVRZVOAANBBS-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.79
Rot. Bonds3

About ethane;undec-7-en-1,4-diyne

ethane;undec-7-en-1,4-diyne (PubChem CID 162284206) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is ethane;undec-7-en-1,4-diyne.

Molecular Properties

Compound Nameethane;undec-7-en-1,4-diyne
PubChem CID162284206
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Nameethane;undec-7-en-1,4-diyne
SMILESC#CCC#CCC=CCCC.CC
InChIInChI=1S/C11H14.C2H6/c1-3-5-7-9-11-10-8-6-4-2;1-2/h1,8,10H,4-6,11H2,2H3;1-2H3
InChIKeyAEWVRZVOAANBBS-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-but-2-ene;ethane;(E)-oct-4-en-1-yne
CID 143339409
non-5-en-2-yn-1-ol
CID 57194533
ethane;(E)-oct-4-ene
CID 142055407
(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
but-1-yne;oct-4-en-1-yne;propane;prop-2-ynylbenzene
CID 160828891
(3E,6E,9E)-trideca-3,6,9-trienenitrile
CID 101282411
(4Z,7Z,10Z,13Z)-heptadeca-4,7,10,13-tetraene
CID 10473036
(3E,6E,10E)-tetradeca-3,6,10-trienenitrile
CID 101282505
(Z)-pentadec-6-en-9-yne
CID 10703505
(E)-N,N-bis[(E)-hex-2-enyl]hex-2-en-1-amine
CID 87105385
nona-1,4,7-triyne
CID 19849482

Frequently Asked Questions

What is the IUPAC name of ethane;undec-7-en-1,4-diyne?
The IUPAC name of ethane;undec-7-en-1,4-diyne (CID 162284206) is ethane;undec-7-en-1,4-diyne.
What is the SMILES notation for ethane;undec-7-en-1,4-diyne?
The canonical SMILES for ethane;undec-7-en-1,4-diyne is C#CCC#CCC=CCCC.CC.
What is the InChIKey of ethane;undec-7-en-1,4-diyne?
The InChIKey is AEWVRZVOAANBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.C2H6/c1-3-5-7-9-11-10-8-6-4-2;1-2/h1,8,10H,4-6,11H2,2H3;1-2H3.
What are the key properties of ethane;undec-7-en-1,4-diyne?
ethane;undec-7-en-1,4-diyne has a molecular weight of 176.30 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;undec-7-en-1,4-diyne is sourced from PubChem (CID 162284206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).