propane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-ene;yttrium

C23H46Y-2 — CID 59410843

IUPACpropane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-ene;yttrium
SMILESC[CH-]C.[CH2-]/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.[Y]
InChIInChI=1S/C20H39.C3H7.Y/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3;1-3-2;/h7,17,19-20H,1,8-16H2,2-6H3;3H,1-2H3;/q2*-1;/b18-7+;;/t19-,20+;;/m1../s1
InChIKeyQNESSWWYZFLKMX-DJJDKZSRSA-N
MW411.53 g/mol
LogP8.43
Rot. Bonds12

About propane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-ene;yttrium

propane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-ene;yttrium (PubChem CID 59410843) has the molecular formula C23H46Y-2 and a molecular weight of 411.53 g/mol. Its IUPAC name is propane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-ene;yttrium.

Molecular Properties

Compound Namepropane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-ene;yttrium
PubChem CID59410843
Molecular FormulaC23H46Y-2
Molecular Weight411.53 g/mol
Exact Mass411.27
IUPAC Namepropane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-ene;yttrium
SMILESC[CH-]C.[CH2-]/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.[Y]
InChIInChI=1S/C20H39.C3H7.Y/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3;1-3-2;/h7,17,19-20H,1,8-16H2,2-6H3;3H,1-2H3;/q2*-1;/b18-7+;;/t19-,20+;;/m1../s1
InChIKeyQNESSWWYZFLKMX-DJJDKZSRSA-N
XLogP8.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.53
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze propane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-ene;yttrium with MolForge

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Related Compounds

(E,20R,24R)-2,6,10,16,20,24,28-heptamethylnonacos-15-en-14-ol
CID 174796441
(E)-2,6,10-trimethylundec-1-ene-1-thiol
CID 25254254
(E)-2,6,10,14-tetramethylpentadec-1-ene-1-thiol
CID 25254401
(E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol
CID 10638184
(E,7S,11S)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
CID 12905050
(E,7R,11R)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
CID 12905048
CID 160640482
CID 160640482
(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 14035235
(7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 54256190
(E)-3,7,11,15,20,24,28-heptamethylnonacos-2-en-1-ol
CID 174796442
(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one
CID 6272650
(E)-2,2,5,9,13-pentamethyltetradec-4-ene
CID 58883085

Frequently Asked Questions

What is the IUPAC name of propane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-ene;yttrium?
The IUPAC name of propane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-ene;yttrium (CID 59410843) is propane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-ene;yttrium.
What is the SMILES notation for propane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-ene;yttrium?
The canonical SMILES for propane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-ene;yttrium is C[CH-]C.[CH2-]/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.[Y].
What is the InChIKey of propane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-ene;yttrium?
The InChIKey is QNESSWWYZFLKMX-DJJDKZSRSA-N. The full InChI is InChI=1S/C20H39.C3H7.Y/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3;1-3-2;/h7,17,19-20H,1,8-16H2,2-6H3;3H,1-2H3;/q2*-1;/b18-7+;;/t19-,20+;;/m1../s1.
What are the key properties of propane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-ene;yttrium?
propane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-ene;yttrium has a molecular weight of 411.53 g/mol, XLogP of 8.43, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-ene;yttrium is sourced from PubChem (CID 59410843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).