ethene;propane;(7Z)-2,5,6-trimethylnona-2,7-diene

C17H34 — CID 157032129

IUPACethene;propane;(7Z)-2,5,6-trimethylnona-2,7-diene
SMILESC/C=C\C(C)C(C)CC=C(C)C.C=C.CCC
InChIInChI=1S/C12H22.C3H8.C2H4/c1-6-7-11(4)12(5)9-8-10(2)3;1-3-2;1-2/h6-8,11-12H,9H2,1-5H3;3H2,1-2H3;1-2H2/b7-6-;;
InChIKeyFUDDHKWXFAAUNY-AQTVDGORSA-N
MW238.46 g/mol
LogP6.41
Rot. Bonds4

About ethene;propane;(7Z)-2,5,6-trimethylnona-2,7-diene

ethene;propane;(7Z)-2,5,6-trimethylnona-2,7-diene (PubChem CID 157032129) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is ethene;propane;(7Z)-2,5,6-trimethylnona-2,7-diene.

Molecular Properties

Compound Nameethene;propane;(7Z)-2,5,6-trimethylnona-2,7-diene
PubChem CID157032129
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Nameethene;propane;(7Z)-2,5,6-trimethylnona-2,7-diene
SMILESC/C=C\C(C)C(C)CC=C(C)C.C=C.CCC
InChIInChI=1S/C12H22.C3H8.C2H4/c1-6-7-11(4)12(5)9-8-10(2)3;1-3-2;1-2/h6-8,11-12H,9H2,1-5H3;3H2,1-2H3;1-2H2/b7-6-;;
InChIKeyFUDDHKWXFAAUNY-AQTVDGORSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3,4,7-trimethyloct-6-enal
CID 89108155
2,5-dimethylhept-2-ene;ethane
CID 144650208
(E)-4-methylpent-2-ene;propane
CID 142019888
2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene
CID 58242815
(5R)-2,5,8-trimethylnon-7-en-4-one
CID 15382477
(E)-3,4-dimethylpent-2-ene;ethene;propane
CID 178040270
(3R,4S,5E)-2,4-dimethylhepta-1,5-dien-3-ol
CID 11007995
2,3,4-trimethylhept-5-en-1-ol
CID 123346743
[(2S,3S)-3-[(2R,3R)-3,6-dimethylhept-5-en-2-yl]oxiran-2-yl]methanol
CID 10559882
(E)-4,5-dimethyloct-6-enoic acid
CID 155168801
5,8-dimethylnon-7-en-4-one
CID 118393642
(3R)-2,6-dimethylhept-5-en-3-ol
CID 141014300

Frequently Asked Questions

What is the IUPAC name of ethene;propane;(7Z)-2,5,6-trimethylnona-2,7-diene?
The IUPAC name of ethene;propane;(7Z)-2,5,6-trimethylnona-2,7-diene (CID 157032129) is ethene;propane;(7Z)-2,5,6-trimethylnona-2,7-diene.
What is the SMILES notation for ethene;propane;(7Z)-2,5,6-trimethylnona-2,7-diene?
The canonical SMILES for ethene;propane;(7Z)-2,5,6-trimethylnona-2,7-diene is C/C=C\C(C)C(C)CC=C(C)C.C=C.CCC.
What is the InChIKey of ethene;propane;(7Z)-2,5,6-trimethylnona-2,7-diene?
The InChIKey is FUDDHKWXFAAUNY-AQTVDGORSA-N. The full InChI is InChI=1S/C12H22.C3H8.C2H4/c1-6-7-11(4)12(5)9-8-10(2)3;1-3-2;1-2/h6-8,11-12H,9H2,1-5H3;3H2,1-2H3;1-2H2/b7-6-;;.
What are the key properties of ethene;propane;(7Z)-2,5,6-trimethylnona-2,7-diene?
ethene;propane;(7Z)-2,5,6-trimethylnona-2,7-diene has a molecular weight of 238.46 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;propane;(7Z)-2,5,6-trimethylnona-2,7-diene is sourced from PubChem (CID 157032129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).