(E)-5,6-diethyldec-5-en-3,7-diyne

C14H20 — CID 101280147

IUPAC(E)-5,6-diethyldec-5-en-3,7-diyne
SMILESCCC#C/C(CC)=C(/C#CCC)CC
InChIInChI=1S/C14H20/c1-5-9-11-13(7-3)14(8-4)12-10-6-2/h5-8H2,1-4H3/b14-13+
InChIKeyRHLPBAPBYVYDQF-BUHFOSPRSA-N
MW188.31 g/mol
LogP3.93
Rot. Bonds2

About (E)-5,6-diethyldec-5-en-3,7-diyne

(E)-5,6-diethyldec-5-en-3,7-diyne (PubChem CID 101280147) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is (E)-5,6-diethyldec-5-en-3,7-diyne.

Molecular Properties

Compound Name(E)-5,6-diethyldec-5-en-3,7-diyne
PubChem CID101280147
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name(E)-5,6-diethyldec-5-en-3,7-diyne
SMILESCCC#C/C(CC)=C(/C#CCC)CC
InChIInChI=1S/C14H20/c1-5-9-11-13(7-3)14(8-4)12-10-6-2/h5-8H2,1-4H3/b14-13+
InChIKeyRHLPBAPBYVYDQF-BUHFOSPRSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-3,4-Dimethylhex-3-ene
CID 3034312
(Z)-3,4-dimethylhex-3-ene
CID 3034311
(3E)-4-Ethyl-3-nonen-5-yne
CID 5368780
3,4-Dimethylhex-3-ene
CID 88151
4-Ethylnon-3-en-5-yne
CID 564545
2-Hexen-4-yne, 2-methyl-3-(1-methylethyl)-
CID 144376
1-Methyl-2-oct-1-ynylcyclobutene
CID 10773623
(4E,6E)-4,5,6,7-tetramethyldeca-4,6-dien-2,8-diyne
CID 12461986
(5E,7E)-2,2,5,6,7,8,11,11-octamethyldodeca-5,7-dien-3,9-diyne
CID 12461987
(5Z,7Z)-2,2,5,6,7,8,11,11-octamethyldodeca-5,7-dien-3,9-diyne
CID 12461988
(z)-3,4-Dipropylhex-3-ene-1,5-diyne
CID 12585185
6-Pent-1-ynyl-7-propyldodec-6-en-4,8-diyne
CID 13416361

Frequently Asked Questions

What is the IUPAC name of (E)-5,6-diethyldec-5-en-3,7-diyne?
The IUPAC name of (E)-5,6-diethyldec-5-en-3,7-diyne (CID 101280147) is (E)-5,6-diethyldec-5-en-3,7-diyne.
What is the SMILES notation for (E)-5,6-diethyldec-5-en-3,7-diyne?
The canonical SMILES for (E)-5,6-diethyldec-5-en-3,7-diyne is CCC#C/C(CC)=C(/C#CCC)CC.
What is the InChIKey of (E)-5,6-diethyldec-5-en-3,7-diyne?
The InChIKey is RHLPBAPBYVYDQF-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H20/c1-5-9-11-13(7-3)14(8-4)12-10-6-2/h5-8H2,1-4H3/b14-13+.
What are the key properties of (E)-5,6-diethyldec-5-en-3,7-diyne?
(E)-5,6-diethyldec-5-en-3,7-diyne has a molecular weight of 188.31 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,6-diethyldec-5-en-3,7-diyne is sourced from PubChem (CID 101280147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).