6-[(E)-prop-1-enyl]undecane

C14H28 — CID 134941128

IUPAC6-[(E)-prop-1-enyl]undecane
SMILESC/C=C/C(CCCCC)CCCCC
InChIInChI=1S/C14H28/c1-4-7-9-12-14(11-6-3)13-10-8-5-2/h6,11,14H,4-5,7-10,12-13H2,1-3H3/b11-6+
InChIKeyWCWCNPOZYJFBLX-IZZDOVSWSA-N
MW196.38 g/mol
LogP5.34
Rot. Bonds9

About 6-[(E)-prop-1-enyl]undecane

6-[(E)-prop-1-enyl]undecane (PubChem CID 134941128) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 6-[(E)-prop-1-enyl]undecane.

Molecular Properties

Compound Name6-[(E)-prop-1-enyl]undecane
PubChem CID134941128
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name6-[(E)-prop-1-enyl]undecane
SMILESC/C=C/C(CCCCC)CCCCC
InChIInChI=1S/C14H28/c1-4-7-9-12-14(11-6-3)13-10-8-5-2/h6,11,14H,4-5,7-10,12-13H2,1-3H3/b11-6+
InChIKeyWCWCNPOZYJFBLX-IZZDOVSWSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.34
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

5-prop-1-enyltridecane
CID 57064303
2-prop-1-enylhexan-1-ol
CID 57263629
5-prop-1-enyldec-2-en-1-ol
CID 87694754
6-but-1-enylundecane
CID 91155625
2-[(Z)-prop-1-enyl]heptyldiazene
CID 155484862
(E)-4-methylicos-2-ene
CID 166512402
propane;(E)-5-[(Z)-prop-1-enyl]non-2-ene
CID 143978428
8,8-dimethyl-4-propylnon-2-ene
CID 123470479
(E)-4-chloroundec-2-ene
CID 88753287
(Z)-undec-2-en-4-ol
CID 14320443
(E)-6-butylhexacos-7-ene
CID 173194372
4-(2-fluoroethenyl)decane
CID 134268972

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-prop-1-enyl]undecane?
The IUPAC name of 6-[(E)-prop-1-enyl]undecane (CID 134941128) is 6-[(E)-prop-1-enyl]undecane.
What is the SMILES notation for 6-[(E)-prop-1-enyl]undecane?
The canonical SMILES for 6-[(E)-prop-1-enyl]undecane is C/C=C/C(CCCCC)CCCCC.
What is the InChIKey of 6-[(E)-prop-1-enyl]undecane?
The InChIKey is WCWCNPOZYJFBLX-IZZDOVSWSA-N. The full InChI is InChI=1S/C14H28/c1-4-7-9-12-14(11-6-3)13-10-8-5-2/h6,11,14H,4-5,7-10,12-13H2,1-3H3/b11-6+.
What are the key properties of 6-[(E)-prop-1-enyl]undecane?
6-[(E)-prop-1-enyl]undecane has a molecular weight of 196.38 g/mol, XLogP of 5.34, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-prop-1-enyl]undecane is sourced from PubChem (CID 134941128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).