5-(2-methylpent-1-en-3-yl)undecane

C17H34 — CID 123769416

IUPAC5-(2-methylpent-1-en-3-yl)undecane
SMILESC=C(C)C(CC)C(CCCC)CCCCCC
InChIInChI=1S/C17H34/c1-6-9-11-12-14-16(13-10-7-2)17(8-3)15(4)5/h16-17H,4,6-14H2,1-3,5H3
InChIKeyDLYQNQVRCWEYMD-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.37
Rot. Bonds11

About 5-(2-methylpent-1-en-3-yl)undecane

5-(2-methylpent-1-en-3-yl)undecane (PubChem CID 123769416) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 5-(2-methylpent-1-en-3-yl)undecane.

Molecular Properties

Compound Name5-(2-methylpent-1-en-3-yl)undecane
PubChem CID123769416
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name5-(2-methylpent-1-en-3-yl)undecane
SMILESC=C(C)C(CC)C(CCCC)CCCCCC
InChIInChI=1S/C17H34/c1-6-9-11-12-14-16(13-10-7-2)17(8-3)15(4)5/h16-17H,4,6-14H2,1-3,5H3
InChIKeyDLYQNQVRCWEYMD-UHFFFAOYSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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5-butyl-6-ethyldodecane
CID 529932
9,10-diethyloctadecane
CID 530164
7,8-dihexylicosane
CID 21490611
9,10-dioctylhexacosane
CID 21470284
(4S,5R)-2-methyl-4-prop-1-en-2-yltridecan-5-ol
CID 10858039
8,10-dimethyl-7-prop-1-en-2-ylhenicosane
CID 59273185
19-heptadecan-3-ylnonatriacontane
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6-ethyl-7-pentyltetradecane
CID 123140274
2-ethyltetradecane-1,1-diol
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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpent-1-en-3-yl)undecane?
The IUPAC name of 5-(2-methylpent-1-en-3-yl)undecane (CID 123769416) is 5-(2-methylpent-1-en-3-yl)undecane.
What is the SMILES notation for 5-(2-methylpent-1-en-3-yl)undecane?
The canonical SMILES for 5-(2-methylpent-1-en-3-yl)undecane is C=C(C)C(CC)C(CCCC)CCCCCC.
What is the InChIKey of 5-(2-methylpent-1-en-3-yl)undecane?
The InChIKey is DLYQNQVRCWEYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-6-9-11-12-14-16(13-10-7-2)17(8-3)15(4)5/h16-17H,4,6-14H2,1-3,5H3.
What are the key properties of 5-(2-methylpent-1-en-3-yl)undecane?
5-(2-methylpent-1-en-3-yl)undecane has a molecular weight of 238.46 g/mol, XLogP of 6.37, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpent-1-en-3-yl)undecane is sourced from PubChem (CID 123769416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).