ethane;(4Z)-8-methylnona-4,7-dien-1-yne

C18H38 — CID 144536542

IUPACethane;(4Z)-8-methylnona-4,7-dien-1-yne
SMILESC#CC/C=C\CC=C(C)C.CC.CC.CC.CC
InChIInChI=1S/C10H14.4C2H6/c1-4-5-6-7-8-9-10(2)3;4*1-2/h1,6-7,9H,5,8H2,2-3H3;4*1-2H3/b7-6-;;;;
InChIKeyMJHYWOZOWPSCPJ-VSJPESBJSA-N
MW254.50 g/mol
LogP7.03
Rot. Bonds3

About ethane;(4Z)-8-methylnona-4,7-dien-1-yne

ethane;(4Z)-8-methylnona-4,7-dien-1-yne (PubChem CID 144536542) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is ethane;(4Z)-8-methylnona-4,7-dien-1-yne.

Molecular Properties

Compound Nameethane;(4Z)-8-methylnona-4,7-dien-1-yne
PubChem CID144536542
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Nameethane;(4Z)-8-methylnona-4,7-dien-1-yne
SMILESC#CC/C=C\CC=C(C)C.CC.CC.CC.CC
InChIInChI=1S/C10H14.4C2H6/c1-4-5-6-7-8-9-10(2)3;4*1-2/h1,6-7,9H,5,8H2,2-3H3;4*1-2H3/b7-6-;;;;
InChIKeyMJHYWOZOWPSCPJ-VSJPESBJSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 57.03
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

3,7-Dimethyl-3,6-octadien-1-yne
CID 53646631
(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
(3Z)-3,7-Dimethyl-3,6-octadien-1-yne
CID 14496262
4-Ethylnon-3-en-5-yne
CID 564545
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne
CID 10955809
3-Ethylhex-3-en-1-yne
CID 123675218
(3E)-3,7-Dimethylocta-3,6-dien-1-yne
CID 22236741
(5Z,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne
CID 11242015
(5E,9E,13E,17E,21E,25E,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethylnonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-yne
CID 11479321
8-Ethynyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 91571910

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z)-8-methylnona-4,7-dien-1-yne?
The IUPAC name of ethane;(4Z)-8-methylnona-4,7-dien-1-yne (CID 144536542) is ethane;(4Z)-8-methylnona-4,7-dien-1-yne.
What is the SMILES notation for ethane;(4Z)-8-methylnona-4,7-dien-1-yne?
The canonical SMILES for ethane;(4Z)-8-methylnona-4,7-dien-1-yne is C#CC/C=C\CC=C(C)C.CC.CC.CC.CC.
What is the InChIKey of ethane;(4Z)-8-methylnona-4,7-dien-1-yne?
The InChIKey is MJHYWOZOWPSCPJ-VSJPESBJSA-N. The full InChI is InChI=1S/C10H14.4C2H6/c1-4-5-6-7-8-9-10(2)3;4*1-2/h1,6-7,9H,5,8H2,2-3H3;4*1-2H3/b7-6-;;;;.
What are the key properties of ethane;(4Z)-8-methylnona-4,7-dien-1-yne?
ethane;(4Z)-8-methylnona-4,7-dien-1-yne has a molecular weight of 254.50 g/mol, XLogP of 7.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z)-8-methylnona-4,7-dien-1-yne is sourced from PubChem (CID 144536542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).