ethane;(1Z)-2-ethylcyclooct-1-en-3,6-diyne;methane

C17H32 — CID 144518212

IUPACethane;(1Z)-2-ethylcyclooct-1-en-3,6-diyne;methane
SMILESC.CC.CC.CC.CC/C1=C/CC#CCC#C1
InChIInChI=1S/C10H10.3C2H6.CH4/c1-2-10-8-6-4-3-5-7-9-10;3*1-2;/h9H,2,4,7H2,1H3;3*1-2H3;1H4/b10-9-;;;;
InChIKeyIQOAAKWFPHWVQD-HKIWRJGFSA-N
MW236.44 g/mol
LogP5.84
Rot. Bonds1

About ethane;(1Z)-2-ethylcyclooct-1-en-3,6-diyne;methane

ethane;(1Z)-2-ethylcyclooct-1-en-3,6-diyne;methane (PubChem CID 144518212) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is ethane;(1Z)-2-ethylcyclooct-1-en-3,6-diyne;methane.

Molecular Properties

Compound Nameethane;(1Z)-2-ethylcyclooct-1-en-3,6-diyne;methane
PubChem CID144518212
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Nameethane;(1Z)-2-ethylcyclooct-1-en-3,6-diyne;methane
SMILESC.CC.CC.CC.CC/C1=C/CC#CCC#C1
InChIInChI=1S/C10H10.3C2H6.CH4/c1-2-10-8-6-4-3-5-7-9-10;3*1-2;/h9H,2,4,7H2,1H3;3*1-2H3;1H4/b10-9-;;;;
InChIKeyIQOAAKWFPHWVQD-HKIWRJGFSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.84
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

(3E)-4-Ethyl-3-nonen-5-yne
CID 5368780
5,9,14,18,22-Pentamethyl-tricosa-5,9,13,17,21-pentaen-1-yne
CID 14544609
5,9,14,18-Tetramethyl-docosa-5,9,13,17-tetraene-1,21-diyne
CID 14544610
4-Ethylnon-3-en-5-yne
CID 564545
4-Methyloct-3-en-5-yne
CID 134850766
Hexa-2-yn-4-ene, 4-ethyl-, (E)-
CID 5463470
(6E)-2,6-dimethyl-2,6-tetradecadien-9-yne
CID 13925506
(E)-3-methylhept-2-en-5-yne
CID 134971536
(Z)-3-methyldec-3-en-5-yne
CID 134977329
(6E,10E,14E)-6,7,10,11,14,15-hexaethyl-3,18-dimethylideneicosa-6,10,14-trien-4,8,12,16-tetrayne
CID 135030373
(E)-4-methyloct-3-en-5-yne
CID 138965648
Hexa-2-yn-4-ene, 4-ethyl-, (Z)-
CID 5463469

Frequently Asked Questions

What is the IUPAC name of ethane;(1Z)-2-ethylcyclooct-1-en-3,6-diyne;methane?
The IUPAC name of ethane;(1Z)-2-ethylcyclooct-1-en-3,6-diyne;methane (CID 144518212) is ethane;(1Z)-2-ethylcyclooct-1-en-3,6-diyne;methane.
What is the SMILES notation for ethane;(1Z)-2-ethylcyclooct-1-en-3,6-diyne;methane?
The canonical SMILES for ethane;(1Z)-2-ethylcyclooct-1-en-3,6-diyne;methane is C.CC.CC.CC.CC/C1=C/CC#CCC#C1.
What is the InChIKey of ethane;(1Z)-2-ethylcyclooct-1-en-3,6-diyne;methane?
The InChIKey is IQOAAKWFPHWVQD-HKIWRJGFSA-N. The full InChI is InChI=1S/C10H10.3C2H6.CH4/c1-2-10-8-6-4-3-5-7-9-10;3*1-2;/h9H,2,4,7H2,1H3;3*1-2H3;1H4/b10-9-;;;;.
What are the key properties of ethane;(1Z)-2-ethylcyclooct-1-en-3,6-diyne;methane?
ethane;(1Z)-2-ethylcyclooct-1-en-3,6-diyne;methane has a molecular weight of 236.44 g/mol, XLogP of 5.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z)-2-ethylcyclooct-1-en-3,6-diyne;methane is sourced from PubChem (CID 144518212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).